Unclassified Organic Compounds

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

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2,176 – 2,190 of 208,279 results

2,176

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4-Cyano-4-phenylcyclohexanone, 97%

CAS: 25115-74-6 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.25 MDL Number: MFCD00044816 InChI Key: GKXOABVSZWCJJK-UHFFFAOYSA-N Synonym: 4-cyano-4-phenylcyclohexanone,4-oxo-1-phenylcyclohexanecarbonitrile,4-oxo-1-phenylcyclohexanenitrile,cyclohexanecarbonitrile, 4-oxo-1-phenyl,4-oxo-1-phenyl-cyclohexanecarbonitrile,4-oxo-1-phenyl-1-cyclohexanecarbonitrile,acmc-1ciss,4-cyano-4phenylcyclohexanone,4-phenyl 4-cyanocylohexanone,4-phenyl 4-cyanocyclohexanone PubChem CID: 91282 IUPAC Name: 4-oxo-1-phenylcyclohexane-1-carbonitrile SMILES: O=C1CCC(CC1)(C#N)C1=CC=CC=C1

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Specifications

PubChem CID	91282
CAS	25115-74-6
Molecular Weight (g/mol)	199.25
MDL Number	MFCD00044816
SMILES	O=C1CCC(CC1)(C#N)C1=CC=CC=C1
Synonym	4-cyano-4-phenylcyclohexanone,4-oxo-1-phenylcyclohexanecarbonitrile,4-oxo-1-phenylcyclohexanenitrile,cyclohexanecarbonitrile, 4-oxo-1-phenyl,4-oxo-1-phenyl-cyclohexanecarbonitrile,4-oxo-1-phenyl-1-cyclohexanecarbonitrile,acmc-1ciss,4-cyano-4phenylcyclohexanone,4-phenyl 4-cyanocylohexanone,4-phenyl 4-cyanocyclohexanone
IUPAC Name	4-oxo-1-phenylcyclohexane-1-carbonitrile
InChI Key	GKXOABVSZWCJJK-UHFFFAOYSA-N
Molecular Formula	C13H13NO

2,177

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Thermo Scientific Chemicals L(+)-Isovaline monohydrate, 99+%, (>99% ee)

CAS: 595-40-4 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.15 MDL Number: MFCD00145255,MFCD00800497,MFCD00800497,MFCD00272968 InChI Key: GCHPUFAZSONQIV-UHFFFAOYNA-N Synonym: d-isovaline,l-isovaline,s-2-amino-2-methylbutanoic acid,l-iso-valine,unii-ebv7h5w26h,ebv7h5w26h,isovaline, l,d--isovaline,2s-2-amino-2-methylbutanoic acid,s-2-amino-2-methylbutyric acid PubChem CID: 6971276 IUPAC Name: (2S)-2-amino-2-methylbutanoic acid SMILES: CCC(C)(N)C(O)=O

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Specifications

PubChem CID	6971276
CAS	595-40-4
Molecular Weight (g/mol)	117.15
MDL Number	MFCD00145255,MFCD00800497,MFCD00800497,MFCD00272968
SMILES	CCC(C)(N)C(O)=O
Synonym	d-isovaline,l-isovaline,s-2-amino-2-methylbutanoic acid,l-iso-valine,unii-ebv7h5w26h,ebv7h5w26h,isovaline, l,d--isovaline,2s-2-amino-2-methylbutanoic acid,s-2-amino-2-methylbutyric acid
IUPAC Name	(2S)-2-amino-2-methylbutanoic acid
InChI Key	GCHPUFAZSONQIV-UHFFFAOYNA-N
Molecular Formula	C5H11NO2

2,178

MilliporeSigma™ CMP-Sialic Acid, Disodium Salt, Calbiochem™,

CAS: 3063-71-6 Molecular Formula: C20H31N4O16P Molecular Weight (g/mol): 614.454 InChI Key: TXCIAUNLDRJGJZ-CEUYIXQXSA-N Synonym: CMP-N-Acetylneuraminic Acid, 2Na, CMP-NANA, CMP-Neu5Ac PubChem CID: 131632558 IUPAC Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O

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Specifications

PubChem CID	131632558
CAS	3063-71-6
Molecular Weight (g/mol)	614.454
SMILES	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O
Synonym	CMP-N-Acetylneuraminic Acid, 2Na, CMP-NANA, CMP-Neu5Ac
IUPAC Name	(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
InChI Key	TXCIAUNLDRJGJZ-CEUYIXQXSA-N
Molecular Formula	C20H31N4O16P

2,179

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3,3',5,5'-Tetra-tert-butyldiphenoquinone, 98+%

CAS: 2455-14-3 Molecular Formula: C28H40O2 Molecular Weight (g/mol): 408.626 MDL Number: MFCD00051798 InChI Key: GQIGHOCYKUBBOE-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetra-tert-butyldiphenoquinone,3,3',5,5'-tetra-tert-butyl-4,4'-diphenoquinone,3,3',5,5'-tetra-tert-butyl-1,1'-bi cyclohexylidene-2,2',5,5'-tetraene-4,4'-dione,unii-4m92z38q9a,3,3',5,5'-tetra-tert-butyl-4,4'-dibenzoquinone,bi-2,5-cyclohexadien-1-ylidene-4,4'-dione, 3,3',5,5'-tetra-tert-butyl,2,2',6,6'-tetra-tert-butyldiphenylquinone,2,6-ditert-butyl-4-3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene cyclohexa-2,5-dien-1-one,pubchem13798,rarechem bw gc 0005 PubChem CID: 225283 IUPAC Name: 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one SMILES: CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C

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Specifications

PubChem CID	225283
CAS	2455-14-3
Molecular Weight (g/mol)	408.626
MDL Number	MFCD00051798
SMILES	CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C
Synonym	3,3',5,5'-tetra-tert-butyldiphenoquinone,3,3',5,5'-tetra-tert-butyl-4,4'-diphenoquinone,3,3',5,5'-tetra-tert-butyl-1,1'-bi cyclohexylidene-2,2',5,5'-tetraene-4,4'-dione,unii-4m92z38q9a,3,3',5,5'-tetra-tert-butyl-4,4'-dibenzoquinone,bi-2,5-cyclohexadien-1-ylidene-4,4'-dione, 3,3',5,5'-tetra-tert-butyl,2,2',6,6'-tetra-tert-butyldiphenylquinone,2,6-ditert-butyl-4-3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene cyclohexa-2,5-dien-1-one,pubchem13798,rarechem bw gc 0005
IUPAC Name	2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
InChI Key	GQIGHOCYKUBBOE-UHFFFAOYSA-N
Molecular Formula	C28H40O2

2,180

4-Fluoro-DL-α-phenylglycine, 98+%, Thermo Scientific™

CAS: 7292-73-1 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.16 MDL Number: MFCD00066444,MFCD00042727 InChI Key: JKFYKCYQEWQPTM-UHFFFAOYNA-N Synonym: 2-amino-2-4-fluorophenyl acetic acid,4-fluoro-dl-phenylglycine,4-fluoro-dl-alpha-phenylglycine,dl-4-fluorophenylglycine,amino 4-fluorophenyl acetic acid,4-fluorophenylglycine,dl-4-fluorophenyl glycine,amino-4-fluoro-phenyl-acetic acid,dl-alpha-4-fluorophenyl-glycine,benzeneacetic acid, alpha-amino-4-fluoro PubChem CID: 98313 IUPAC Name: 2-amino-2-(4-fluorophenyl)acetic acid SMILES: NC(C(O)=O)C1=CC=C(F)C=C1

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Specifications

PubChem CID	98313
CAS	7292-73-1
Molecular Weight (g/mol)	169.16
MDL Number	MFCD00066444,MFCD00042727
SMILES	NC(C(O)=O)C1=CC=C(F)C=C1
Synonym	2-amino-2-4-fluorophenyl acetic acid,4-fluoro-dl-phenylglycine,4-fluoro-dl-alpha-phenylglycine,dl-4-fluorophenylglycine,amino 4-fluorophenyl acetic acid,4-fluorophenylglycine,dl-4-fluorophenyl glycine,amino-4-fluoro-phenyl-acetic acid,dl-alpha-4-fluorophenyl-glycine,benzeneacetic acid, alpha-amino-4-fluoro
IUPAC Name	2-amino-2-(4-fluorophenyl)acetic acid
InChI Key	JKFYKCYQEWQPTM-UHFFFAOYNA-N
Molecular Formula	C8H8FNO2

2,181

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Copper(I) trifluoromethanesulfonate benzene complex, 90%

CAS: 42152-46-5 Molecular Formula: C₈H₆Cu₂F₆O₆S₂ Molecular Weight (g/mol): 503.33 MDL Number: MFCD00043300 Synonym: Trifluoromethanesulfonic acid, copper(I) salt, benzene complex

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Specifications

CAS	42152-46-5
Molecular Weight (g/mol)	503.33
MDL Number	MFCD00043300
Synonym	Trifluoromethanesulfonic acid, copper(I) salt, benzene complex
Molecular Formula	C₈H₆Cu₂F₆O₆S₂

2,182

Thermo Scientific Chemicals Sarpogrelate hydrochloride, 98%

CAS: 135159-51-2 Molecular Formula: C₂₄H₃₁NO₆·HCl Molecular Weight (g/mol): 465.97 InChI Key: POQBIDFFYCYHOB-UHFFFAOYNA-N PubChem CID: 444005

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Specifications

PubChem CID	444005
CAS	135159-51-2
Molecular Weight (g/mol)	465.97
InChI Key	POQBIDFFYCYHOB-UHFFFAOYNA-N
Molecular Formula	C₂₄H₃₁NO₆·HCl

2,183

Ramipril, 98%

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2,184

Thermo Scientific Chemicals N-Phenylglycine, 93%

CAS: 103-01-5 Molecular Formula: C8H8NNaO2 Molecular Weight (g/mol): 173.15 MDL Number: MFCD00014009 InChI Key: YEMGQZDWLLBIEY-UHFFFAOYSA-M Synonym: n-phenylglycine,anilinoacetic acid,2-phenylamino acetic acid,glycine, n-phenyl,glycine, phenyl,n-phenylglycin,n-phenylaminoacetic acid,phenylamino acetic acid,h-phenylgly-oh,n-phenyl glycine PubChem CID: 66025 ChEBI: CHEBI:55477 IUPAC Name: 2-anilinoacetic acid SMILES: [Na+].[O-]C(=O)CNC1=CC=CC=C1

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Specifications

PubChem CID	66025
CAS	103-01-5
Molecular Weight (g/mol)	173.15
ChEBI	CHEBI:55477
MDL Number	MFCD00014009
SMILES	[Na+].[O-]C(=O)CNC1=CC=CC=C1
Synonym	n-phenylglycine,anilinoacetic acid,2-phenylamino acetic acid,glycine, n-phenyl,glycine, phenyl,n-phenylglycin,n-phenylaminoacetic acid,phenylamino acetic acid,h-phenylgly-oh,n-phenyl glycine
IUPAC Name	2-anilinoacetic acid
InChI Key	YEMGQZDWLLBIEY-UHFFFAOYSA-M
Molecular Formula	C8H8NNaO2

2,185

Dicloxacillin sodium salt monohydrate

CAS: 13412-64-1 Molecular Formula: C19H21Cl2N3NaO6S Molecular Weight (g/mol): 513.342 MDL Number: MFCD00056865 InChI Key: ASMFXKXNAWVTAY-MBGFYOAHSA-N PubChem CID: 131673926 IUPAC Name: (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;molecular hydrogen;sodium;hydrate SMILES: [HH].CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.O.[Na]

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Specifications

PubChem CID	131673926
CAS	13412-64-1
Molecular Weight (g/mol)	513.342
MDL Number	MFCD00056865
SMILES	[HH].CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.O.[Na]
IUPAC Name	(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;molecular hydrogen;sodium;hydrate
InChI Key	ASMFXKXNAWVTAY-MBGFYOAHSA-N
Molecular Formula	C19H21Cl2N3NaO6S

2,186

Platinum, 0.5% on 2.7-3.3mm (0.11-0.13in) alumina pellets, reduced

CAS: 6-6-7440 MDL Number: MFCD00011179

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Specifications

CAS	6-6-7440
MDL Number	MFCD00011179

2,187

Travoprost, Thermo Scientific Chemicals

CAS: 157283-68-6 Molecular Formula: C26H35F3O6 Molecular Weight (g/mol): 500.56 InChI Key: MKPLKVHSHYCHOC-AHTXBMBWSA-N IUPAC Name: propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoate SMILES: CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F

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Specifications

CAS	157283-68-6
Molecular Weight (g/mol)	500.56
SMILES	CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F
IUPAC Name	propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoate
InChI Key	MKPLKVHSHYCHOC-AHTXBMBWSA-N
Molecular Formula	C26H35F3O6

2,188

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Ammoniated Mercury, Powder, USP, 98-100.5%, Spectrum™ Chemical

CAS: 10124-48-8 Molecular Formula: ClH2HgN Molecular Weight (g/mol): 252.06 InChI Key: WRWRKDRWMURIBI-UHFFFAOYSA-M IUPAC Name: mercury(2+) azanide chloride SMILES: [NH2-].[Cl-].[Hg++]

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Specifications

CAS	10124-48-8
Molecular Weight (g/mol)	252.06
SMILES	[NH2-].[Cl-].[Hg++]
IUPAC Name	mercury(2+) azanide chloride
InChI Key	WRWRKDRWMURIBI-UHFFFAOYSA-M
Molecular Formula	ClH2HgN