Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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511 – 525 of 206,041 results

511

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Tropone, 97%

CAS: 539-80-0 Molecular Formula: C7H6O Molecular Weight (g/mol): 106.124 MDL Number: MFCD00014331 InChI Key: QVWDCTQRORVHHT-UHFFFAOYSA-N Synonym: tropone,2,4,6-cycloheptatrien-1-one,tropon,unii-co48x7sufh,co48x7sufh,cycloheptatrienone,1-cyclohepta-2,4,6-trienone,2,4,6-cycloheptatriene-1-one PubChem CID: 10881 IUPAC Name: cyclohepta-2,4,6-trien-1-one SMILES: C1=CC=CC(=O)C=C1

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Specifications

PubChem CID	10881
CAS	539-80-0
Molecular Weight (g/mol)	106.124
MDL Number	MFCD00014331
SMILES	C1=CC=CC(=O)C=C1
Synonym	tropone,2,4,6-cycloheptatrien-1-one,tropon,unii-co48x7sufh,co48x7sufh,cycloheptatrienone,1-cyclohepta-2,4,6-trienone,2,4,6-cycloheptatriene-1-one
IUPAC Name	cyclohepta-2,4,6-trien-1-one
InChI Key	QVWDCTQRORVHHT-UHFFFAOYSA-N
Molecular Formula	C7H6O

512

Lactose, Monohydrate, Powder, Multi-Compendial, N.F., J.T. Baker™

CAS: 64044-51-5 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.312 InChI Key: WSVLPVUVIUVCRA-ZEAJSSQNSA-N Synonym: d-lactose monohydrate,d-+-lactosemonohydrate PubChem CID: 133126686 IUPAC Name: (3S,6R)-2-(hydroxymethyl)-6-[(3R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O.O

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Specifications

PubChem CID	133126686
CAS	64044-51-5
Molecular Weight (g/mol)	360.312
SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O.O
Synonym	d-lactose monohydrate,d-+-lactosemonohydrate
IUPAC Name	(3S,6R)-2-(hydroxymethyl)-6-[(3R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate
InChI Key	WSVLPVUVIUVCRA-ZEAJSSQNSA-N
Molecular Formula	C12H24O12

513

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Salicylaldoxime, 98%

CAS: 94-67-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00002120 InChI Key: GFCNBJDXQMZOOC-WAYWQWQTSA-N Synonym: salicylaldoxime,2-hydroxybenzaldehyde oxime,salicylaldehyde oxime,2-hydroxyimino methyl phenol,6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one,e-2-hydroxybenzaldehyde oxime,orihzizptztncu-uhfffaoysa-n,orihzizptztncu-vmpitwqzsa-n,2-1e-hydroxyimino methyl phenol,salicylideneaminoalcohol PubChem CID: 6740756 IUPAC Name: 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one SMILES: ON\C=C1\C=CC=CC1=O

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Specifications

PubChem CID	6740756
CAS	94-67-7
Molecular Weight (g/mol)	137.14
MDL Number	MFCD00002120
SMILES	ON\C=C1\C=CC=CC1=O
Synonym	salicylaldoxime,2-hydroxybenzaldehyde oxime,salicylaldehyde oxime,2-hydroxyimino methyl phenol,6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one,e-2-hydroxybenzaldehyde oxime,orihzizptztncu-uhfffaoysa-n,orihzizptztncu-vmpitwqzsa-n,2-1e-hydroxyimino methyl phenol,salicylideneaminoalcohol
IUPAC Name	6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one
InChI Key	GFCNBJDXQMZOOC-WAYWQWQTSA-N
Molecular Formula	C7H7NO2

514

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Thermo Scientific Chemicals Sarcosine ethyl ester hydrochloride, 97%

CAS: 52605-49-9 Molecular Formula: C5H12ClNO2 Molecular Weight (g/mol): 153.61 MDL Number: MFCD00012506 InChI Key: NIDZUMSLERGAON-UHFFFAOYSA-N Synonym: sarcosine ethyl ester hydrochloride,ethyl sarcosinate hydrochloride,ethyl 2-methylamino acetate hydrochloride,h-sar-oet.hcl,ethyl n-methylaminoacetate hydrochloride,me-gly-oet.hcl,n-methylglycine ethyl ester hydrochloride,glycine, n-methyl-, ethyl ester, hydrochloride,ethyl n-methylglycinate hydrochloride,n-methyl glycine ethyl ester hydrochloride PubChem CID: 171173 SMILES: [H+].[Cl-].CCOC(=O)CNC

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Specifications

PubChem CID	171173
CAS	52605-49-9
Molecular Weight (g/mol)	153.61
MDL Number	MFCD00012506
SMILES	[H+].[Cl-].CCOC(=O)CNC
Synonym	sarcosine ethyl ester hydrochloride,ethyl sarcosinate hydrochloride,ethyl 2-methylamino acetate hydrochloride,h-sar-oet.hcl,ethyl n-methylaminoacetate hydrochloride,me-gly-oet.hcl,n-methylglycine ethyl ester hydrochloride,glycine, n-methyl-, ethyl ester, hydrochloride,ethyl n-methylglycinate hydrochloride,n-methyl glycine ethyl ester hydrochloride
InChI Key	NIDZUMSLERGAON-UHFFFAOYSA-N
Molecular Formula	C5H12ClNO2

515

Cytidine-5'-diphosphate Trisodium Salt, ≥98%, MP Biomedicals™

CAS: 34393-59-4 Molecular Formula: C9H12N3Na3O11P2 Molecular Weight (g/mol): 469.12 MDL Number: MFCD00065201 InChI Key: JENUKVZGXGULDX-LLWADOMFSA-K Synonym: cytidine 5'-diphosphate trisodium salt PubChem CID: 131674171 IUPAC Name: trisodium ({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate SMILES: [Na+].[Na+].[Na+].NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O

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Specifications

PubChem CID	131674171
CAS	34393-59-4
Molecular Weight (g/mol)	469.12
MDL Number	MFCD00065201
SMILES	[Na+].[Na+].[Na+].NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
Synonym	cytidine 5'-diphosphate trisodium salt
IUPAC Name	trisodium ({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
InChI Key	JENUKVZGXGULDX-LLWADOMFSA-K
Molecular Formula	C9H12N3Na3O11P2

516

Tetracyline hydrochloride, MP Biomedicals™

CAS: 64-75-5 Molecular Formula: C22H25ClN2O8 Molecular Weight (g/mol): 480.898 InChI Key: HTXDZWDXSWLLLW-FMZCEJRJSA-N Synonym: tetracycline hydrochloride PubChem CID: 129628373 IUPAC Name: (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,11,12a-pentahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=C(C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)C(=O)N)O)N(C)C)O.Cl

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Specifications

PubChem CID	129628373
CAS	64-75-5
Molecular Weight (g/mol)	480.898
SMILES	CC1(C2CC3C(C(=C(C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)C(=O)N)O)N(C)C)O.Cl
Synonym	tetracycline hydrochloride
IUPAC Name	(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,11,12a-pentahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI Key	HTXDZWDXSWLLLW-FMZCEJRJSA-N
Molecular Formula	C22H25ClN2O8

517

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3,4-Dimethylphenylhydrazine hydrochloride, 98%

CAS: 60481-51-8 Molecular Formula: C8H13ClN2 Molecular Weight (g/mol): 172.656 MDL Number: MFCD00052270 InChI Key: YYMIOVAEQIEPET-UHFFFAOYSA-N Synonym: 3,4-dimethylphenylhydrazine hydrochloride,3,4-dimethylphenyl hydrazine hydrochloride,1-3,4-dimethylphenyl hydrazine hydrochloride,hydrazine, 3,4-dimethylphenyl-, monohydrochloride,4-hydrazino-o-xylene hydrochloride,3,4-dimethylphenyl hydrazine hydrochloride 1:x,hydrazine, 3,4-dimethylphenyl-, hydrochloride,3,4-dimethylphenyl diazane hydrochloride,pubchem7555,3,4-dimethylphenylhydrazinehydrochloride PubChem CID: 173740 IUPAC Name: (3,4-dimethylphenyl)hydrazine;hydrochloride SMILES: CC1=C(C=C(C=C1)NN)C.Cl

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Specifications

PubChem CID	173740
CAS	60481-51-8
Molecular Weight (g/mol)	172.656
MDL Number	MFCD00052270
SMILES	CC1=C(C=C(C=C1)NN)C.Cl
Synonym	3,4-dimethylphenylhydrazine hydrochloride,3,4-dimethylphenyl hydrazine hydrochloride,1-3,4-dimethylphenyl hydrazine hydrochloride,hydrazine, 3,4-dimethylphenyl-, monohydrochloride,4-hydrazino-o-xylene hydrochloride,3,4-dimethylphenyl hydrazine hydrochloride 1:x,hydrazine, 3,4-dimethylphenyl-, hydrochloride,3,4-dimethylphenyl diazane hydrochloride,pubchem7555,3,4-dimethylphenylhydrazinehydrochloride
IUPAC Name	(3,4-dimethylphenyl)hydrazine;hydrochloride
InChI Key	YYMIOVAEQIEPET-UHFFFAOYSA-N
Molecular Formula	C8H13ClN2

518

1-Benzyl-3-carbethoxy-4-piperidone hydrochloride, 97%

CAS: 1454-53-1 Molecular Formula: C15H20ClNO3 Molecular Weight (g/mol): 297.78 MDL Number: MFCD00012800 InChI Key: YPFMNHZRNXPYBG-UHFFFAOYNA-N Synonym: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,1-benzyl-3-carbethoxy-4-piperidone hydrochloride,ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride,1-benzyl-3-ethoxycarbonyl-4-piperidone hydrochloride,1-benzyl-3-carbethoxy-4-piperidone hcl,1-benzyl-3-carbethoxy-piperidone hcl,1-benzyl-3-ethoxycarbonyl-4-piperidone hcl,1-benzyl-3-carboethoxy-4-piperidone hydrochloride,1-benzyl-3-ethoxycarbonyl-4-oxopiperidine hydrochloride PubChem CID: 102623 IUPAC Name: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride SMILES: Cl.CCOC(=O)C1CN(CC2=CC=CC=C2)CCC1=O

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Specifications

PubChem CID	102623
CAS	1454-53-1
Molecular Weight (g/mol)	297.78
MDL Number	MFCD00012800
SMILES	Cl.CCOC(=O)C1CN(CC2=CC=CC=C2)CCC1=O
Synonym	ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,1-benzyl-3-carbethoxy-4-piperidone hydrochloride,ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride,1-benzyl-3-ethoxycarbonyl-4-piperidone hydrochloride,1-benzyl-3-carbethoxy-4-piperidone hcl,1-benzyl-3-carbethoxy-piperidone hcl,1-benzyl-3-ethoxycarbonyl-4-piperidone hcl,1-benzyl-3-carboethoxy-4-piperidone hydrochloride,1-benzyl-3-ethoxycarbonyl-4-oxopiperidine hydrochloride
IUPAC Name	ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride
InChI Key	YPFMNHZRNXPYBG-UHFFFAOYNA-N
Molecular Formula	C15H20ClNO3

519

N-Acetyl-D-Glucosamine, MP Biomedicals™

CAS: 7512-17-6 Molecular Formula: C8H15NO6 Molecular Weight (g/mol): 221.21 MDL Number: MFCD00061615 InChI Key: OVRNDRQMDRJTHS-WZWLWIOANA-N Synonym: 2-Acetamido-2-deoxy-D-glucose, D-GlcNAc IUPAC Name: N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

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Specifications

CAS	7512-17-6
Molecular Weight (g/mol)	221.21
MDL Number	MFCD00061615
SMILES	CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
Synonym	2-Acetamido-2-deoxy-D-glucose, D-GlcNAc
IUPAC Name	N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI Key	OVRNDRQMDRJTHS-WZWLWIOANA-N
Molecular Formula	C8H15NO6

520

Glassy carbon spherical powder, 200-400 micron, type 2

MDL Number: MFCD00133992

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Specifications

MDL Number	MFCD00133992

521

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1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

CAS: 162148-48-3 Molecular Formula: C20H40N4O4 Molecular Weight (g/mol): 400.56 MDL Number: MFCD09263303 InChI Key: OERWIIJOLSXGAQ-UHFFFAOYSA-N Synonym: di-tert-butyl 2,2'-1,4,7,10-tetraazacyclododecane-1,7-diyl diacetate,1,7-bis tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane,1,4,7,10-tetraazacyclododecane-1,7-diacetic acid 1,7-bis 1,1-dimethylethyl ester,tert-butyl 2-7-2-tert-butoxy-2-oxoethyl-1,4,7,10-tetraazacyclododecan-1-yl acetate,1,4,7,10-tetraazacyclododecane-1,7-bis t-butyl acetate,1,7-bis carbo-tert-butoxymethyl-1,4,7,10-tetraazacyclododecane,1,4,7,10-tetraazacyclododecane-1,7-bis acetic acid tert-butyl ester,1,4,7,10-tetraazacyclododecane-1,7-diacetic acid, bis 1,1-dimethylethyl ester,tert-butyl 2-7-2-tert-butoxy-2-oxo-ethyl-1,4,7,10-tetrazacyclododec-1-yl acetate,tert-butyl 2-7-2-2-methylpropan-2-yl oxy-2-oxoethyl-1,4,7,10-tetrazacyclododec-1-yl acetate PubChem CID: 393881 IUPAC Name: tert-butyl 2-{7-[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetate SMILES: CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCNCC1

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Specifications

PubChem CID	393881
CAS	162148-48-3
Molecular Weight (g/mol)	400.56
MDL Number	MFCD09263303
SMILES	CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCNCC1
Synonym	di-tert-butyl 2,2'-1,4,7,10-tetraazacyclododecane-1,7-diyl diacetate,1,7-bis tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane,1,4,7,10-tetraazacyclododecane-1,7-diacetic acid 1,7-bis 1,1-dimethylethyl ester,tert-butyl 2-7-2-tert-butoxy-2-oxoethyl-1,4,7,10-tetraazacyclododecan-1-yl acetate,1,4,7,10-tetraazacyclododecane-1,7-bis t-butyl acetate,1,7-bis carbo-tert-butoxymethyl-1,4,7,10-tetraazacyclododecane,1,4,7,10-tetraazacyclododecane-1,7-bis acetic acid tert-butyl ester,1,4,7,10-tetraazacyclododecane-1,7-diacetic acid, bis 1,1-dimethylethyl ester,tert-butyl 2-7-2-tert-butoxy-2-oxo-ethyl-1,4,7,10-tetrazacyclododec-1-yl acetate,tert-butyl 2-7-2-2-methylpropan-2-yl oxy-2-oxoethyl-1,4,7,10-tetrazacyclododec-1-yl acetate
IUPAC Name	tert-butyl 2-{7-[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetate
InChI Key	OERWIIJOLSXGAQ-UHFFFAOYSA-N
Molecular Formula	C20H40N4O4

522

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N-Benzyloxycarbonyl-L-alanine, 98%

CAS: 1142-20-7 Molecular Formula: C11H13NO4 Molecular Weight (g/mol): 223.23 MDL Number: MFCD00002640 InChI Key: TYRGLVWXHJRKMT-QMMMGPOBSA-N Synonym: n-carbobenzyloxy-l-alanine,z-ala-oh,n-cbz-l-alanine,z-l-alanine,n-benzyloxycarbonyl-l-alanine,cbz-l-alanine,cbz-ala-oh,carbobenzyloxy-l-alanine,benzyloxycarbonyl-l-alanine,carbobenzoxy-l-alanine PubChem CID: 736104 SMILES: C[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	736104
CAS	1142-20-7
Molecular Weight (g/mol)	223.23
MDL Number	MFCD00002640
SMILES	C[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
Synonym	n-carbobenzyloxy-l-alanine,z-ala-oh,n-cbz-l-alanine,z-l-alanine,n-benzyloxycarbonyl-l-alanine,cbz-l-alanine,cbz-ala-oh,carbobenzyloxy-l-alanine,benzyloxycarbonyl-l-alanine,carbobenzoxy-l-alanine
InChI Key	TYRGLVWXHJRKMT-QMMMGPOBSA-N
Molecular Formula	C11H13NO4

523

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Ethyl 2-amino-3,3,3-trifluoropropionate hydrochloride, 95%

CAS: 193140-71-5 Molecular Formula: C5H9ClF3NO2 Molecular Weight (g/mol): 207.58 MDL Number: MFCD14525479 InChI Key: MNFISCBCWBUTTQ-UHFFFAOYNA-N Synonym: ethyl 2-amino-3,3,3-trifluoropropanoate hydrochloride,2-amino-3,3,3-trifluoro-propionic acid ethyl ester hydrochloride,ethyl 3,3,3-trifluoroalaninate,ethyl 2-amino-3,3,3-trifluoropropionate hydrochloride,ethyl 3,3,3-trifluoroalaninate-hydrogen chloride 1/1 PubChem CID: 45790935 IUPAC Name: ethyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride SMILES: Cl.CCOC(=O)C(N)C(F)(F)F

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Specifications

PubChem CID	45790935
CAS	193140-71-5
Molecular Weight (g/mol)	207.58
MDL Number	MFCD14525479
SMILES	Cl.CCOC(=O)C(N)C(F)(F)F
Synonym	ethyl 2-amino-3,3,3-trifluoropropanoate hydrochloride,2-amino-3,3,3-trifluoro-propionic acid ethyl ester hydrochloride,ethyl 3,3,3-trifluoroalaninate,ethyl 2-amino-3,3,3-trifluoropropionate hydrochloride,ethyl 3,3,3-trifluoroalaninate-hydrogen chloride 1/1
IUPAC Name	ethyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride
InChI Key	MNFISCBCWBUTTQ-UHFFFAOYNA-N
Molecular Formula	C5H9ClF3NO2

524

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Ethyl isocyanoacetate, 97%

CAS: 2999-46-4 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 InChI Key: FPULFENIJDPZBX-UHFFFAOYSA-N Synonym: ethyl isocyanoacetate,isocyanoacetic acid ethyl ester,ethylisocyanoacetate,acetic acid, 2-isocyano-, ethyl ester,acetic acid, isocyano-, ethyl ester,ethyl iso-cyanoacetate,ethyl isocyano-acetate,pubchem2345,ethyl 2-isocyanoacetat PubChem CID: 533707 IUPAC Name: ethyl 2-isocyanoacetate SMILES: CCOC(=O)C[N+]#[C-]

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Specifications

PubChem CID	533707
CAS	2999-46-4
Molecular Weight (g/mol)	113.12
SMILES	CCOC(=O)C[N+]#[C-]
Synonym	ethyl isocyanoacetate,isocyanoacetic acid ethyl ester,ethylisocyanoacetate,acetic acid, 2-isocyano-, ethyl ester,acetic acid, isocyano-, ethyl ester,ethyl iso-cyanoacetate,ethyl isocyano-acetate,pubchem2345,ethyl 2-isocyanoacetat
IUPAC Name	ethyl 2-isocyanoacetate
InChI Key	FPULFENIJDPZBX-UHFFFAOYSA-N
Molecular Formula	C5H7NO2

525

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Methyl 3,4,5-trihydroxybenzoate, 99%

CAS: 99-24-1 Molecular Formula: C₈H₈O₅ Molecular Weight (g/mol): 184.15 MDL Number: MFCD00002194 InChI Key: FBSFWRHWHYMIOG-UHFFFAOYSA-N Synonym: methyl gallate,gallic acid methyl ester,methylgallate,benzoic acid, 3,4,5-trihydroxy-, methyl ester,gallic acid, methyl ester,methyl galloate,unii-623d3xg80c,ccris 5567,3,4,5-trihydroxybenzoic acid methyl ester,chembl65675 PubChem CID: 7428 IUPAC Name: methyl 3,4,5-trihydroxybenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)O)O)O

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Specifications

PubChem CID	7428
CAS	99-24-1
Molecular Weight (g/mol)	184.15
MDL Number	MFCD00002194
SMILES	COC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym	methyl gallate,gallic acid methyl ester,methylgallate,benzoic acid, 3,4,5-trihydroxy-, methyl ester,gallic acid, methyl ester,methyl galloate,unii-623d3xg80c,ccris 5567,3,4,5-trihydroxybenzoic acid methyl ester,chembl65675
IUPAC Name	methyl 3,4,5-trihydroxybenzoate
InChI Key	FBSFWRHWHYMIOG-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₅

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