Unclassified Organic Compounds

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

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331 – 345 of 162,698 results

331

Dipropylene glycol, 99%, mixture of isomers

CAS: 25265-71-8 Molecular Formula: C₆H₁₄O₃ Molecular Weight (g/mol): 134.18 MDL Number: MFCD00051023

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CAS	25265-71-8
Molecular Weight (g/mol)	134.18
MDL Number	MFCD00051023
Molecular Formula	C₆H₁₄O₃

332

3-Methylcyclohexanone, 97%

CAS: 591-24-2 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00001639 InChI Key: UJBOOUHRTQVGRU-UHFFFAOYNA-N Synonym: 3-methylcyclohexanone,cyclohexanone, 3-methyl,methyl-3 cyclohexanone-1,3-methyl cyclohexanone,methyl-3 cyclohexanone-1 french,m-methylcyclohexanone,r-3-methylcyclohexanone,+-3r-3-methylcyclohexanone,cyclohexanone, 3-methyl-, r,cyclohexanone, 3-methyl-, s PubChem CID: 11567 IUPAC Name: 3-methylcyclohexan-1-one SMILES: CC1CCCC(=O)C1

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Specifications

PubChem CID	11567
CAS	591-24-2
Molecular Weight (g/mol)	112.17
MDL Number	MFCD00001639
SMILES	CC1CCCC(=O)C1
Synonym	3-methylcyclohexanone,cyclohexanone, 3-methyl,methyl-3 cyclohexanone-1,3-methyl cyclohexanone,methyl-3 cyclohexanone-1 french,m-methylcyclohexanone,r-3-methylcyclohexanone,+-3r-3-methylcyclohexanone,cyclohexanone, 3-methyl-, r,cyclohexanone, 3-methyl-, s
IUPAC Name	3-methylcyclohexan-1-one
InChI Key	UJBOOUHRTQVGRU-UHFFFAOYNA-N
Molecular Formula	C7H12O

333

Stevioside

CAS: 57817-89-7 Molecular Formula: C₃₈H₆₀O₁₈ Molecular Weight (g/mol): 804.88 InChI Key: UEDUENGHJMELGK-PEKONUEISA-N Synonym: stevioside PubChem CID: 134129657 SMILES: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O

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Specifications

PubChem CID	134129657
CAS	57817-89-7
Molecular Weight (g/mol)	804.88
SMILES	CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
Synonym	stevioside
InChI Key	UEDUENGHJMELGK-PEKONUEISA-N
Molecular Formula	C₃₈H₆₀O₁₈

334

Rosuvastatin, calcium salt, 98%

CAS: 147098-20-2 Molecular Formula: C₂₂H₂₈FN₃O₆S·₁/₂Ca Molecular Weight (g/mol): 500.58 InChI Key: LQFSLFAVBQEFBH-LSMDDVBQSA-N Synonym: 3s,5r-rosuvastatin calcium salt, ent-rosuvastatin PubChem CID: 131673834 IUPAC Name: calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid;molecular hydrogen SMILES: [HH].[HH].CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca]

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Specifications

PubChem CID	131673834
CAS	147098-20-2
Molecular Weight (g/mol)	500.58
SMILES	[HH].[HH].CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca]
Synonym	3s,5r-rosuvastatin calcium salt, ent-rosuvastatin
IUPAC Name	calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid;molecular hydrogen
InChI Key	LQFSLFAVBQEFBH-LSMDDVBQSA-N
Molecular Formula	C₂₂H₂₈FN₃O₆S·₁/₂Ca

335

Carbon black, Super P∣r Conductive, 99+% (metals basis)

CAS: 1333-86-4 Molecular Formula: C Molecular Weight (g/mol): 12.01 MDL Number: MFCD00133992 InChI Key: OKTJSMMVPCPJKN-UHFFFAOYSA-N

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Specifications

CAS	1333-86-4
Molecular Weight (g/mol)	12.01
MDL Number	MFCD00133992
InChI Key	OKTJSMMVPCPJKN-UHFFFAOYSA-N
Molecular Formula	C

336

beta-Nicotinamide adenine dinucleotide phosphate reduced tetrasodium salt hydrate, 97%

Molecular Formula: C₂₁H₂₆N₇Na₄O₁₇P₃·xH₂O MDL Number: MFCD07366294 Synonym: beta-NADPH tetrasodium salt tetrahydrate

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Specifications

MDL Number	MFCD07366294
Synonym	beta-NADPH tetrasodium salt tetrahydrate
Molecular Formula	C₂₁H₂₆N₇Na₄O₁₇P₃·xH₂O

337

Betaine hydrochloride, 99%

CAS: 590-46-5 Molecular Formula: C5H12ClNO2 Molecular Weight (g/mol): 153.61 MDL Number: MFCD00011903 InChI Key: HOPSCVCBEOCPJZ-UHFFFAOYSA-N Synonym: betaine hydrochloride,betaine chloride,pluchine,acidogeno,acipepsol,achylin,acidin,acinorm,acidol,acidine PubChem CID: 11545 SMILES: [Cl-].C[N+](C)(C)CC(O)=O

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Specifications

PubChem CID	11545
CAS	590-46-5
Molecular Weight (g/mol)	153.61
MDL Number	MFCD00011903
SMILES	[Cl-].C[N+](C)(C)CC(O)=O
Synonym	betaine hydrochloride,betaine chloride,pluchine,acidogeno,acipepsol,achylin,acidin,acinorm,acidol,acidine
InChI Key	HOPSCVCBEOCPJZ-UHFFFAOYSA-N
Molecular Formula	C5H12ClNO2

338

Thermo Scientific Chemicals Guanidine thiocyanate, Molecular Biology Grade

CAS: 593-84-0 Molecular Formula: CH₅N₃·CHNS MDL Number: MFCD00013027 Synonym: Guanidine rhodanide

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Specifications

CAS	593-84-0
MDL Number	MFCD00013027
Synonym	Guanidine rhodanide
Molecular Formula	CH₅N₃·CHNS

339

Sucrose, MP Biomedicals™

CAS: 57-50-1 Molecular Formula: C12H22O11 Molecular Weight (g/mol): 342.30 MDL Number: MFCD00006626 InChI Key: CZMRCDWAGMRECN-PWPRYFECNA-N Synonym: Beet sugar,Cane sugar,b-D-Fructofuranosyl-a-D-glucopyranoside,D-(+)-Saccharose IUPAC Name: (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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Specifications

CAS	57-50-1
Molecular Weight (g/mol)	342.30
MDL Number	MFCD00006626
SMILES	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Synonym	Beet sugar,Cane sugar,b-D-Fructofuranosyl-a-D-glucopyranoside,D-(+)-Saccharose
IUPAC Name	(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key	CZMRCDWAGMRECN-PWPRYFECNA-N
Molecular Formula	C12H22O11

340

Hinokitiol 99.0+%, TCI America™

CAS: 499-44-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00059582 InChI Key: FUWUEFKEXZQKKA-UHFFFAOYSA-N Synonym: 2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one, beta-Thujaplicine PubChem CID: 3611 ChEBI: CHEBI:10447 IUPAC Name: 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one SMILES: CC(C)C1=CC(=O)C(=CC=C1)O

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Specifications

PubChem CID	3611
CAS	499-44-5
Molecular Weight (g/mol)	164.204
ChEBI	CHEBI:10447
MDL Number	MFCD00059582
SMILES	CC(C)C1=CC(=O)C(=CC=C1)O
Synonym	2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one, beta-Thujaplicine
IUPAC Name	2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
InChI Key	FUWUEFKEXZQKKA-UHFFFAOYSA-N
Molecular Formula	C10H12O2

341

Hafnocene Dichloride 98.0+%, TCI America™

CAS: 12116-66-4 Molecular Formula: C10H10Cl2Hf Molecular Weight (g/mol): 379.58 MDL Number: MFCD00001438,MFCD00001438 InChI Key: CSEGCHWAMVIXSA-UHFFFAOYSA-L Synonym: bis cyclopentadienyl hafniumdichloride PubChem CID: 131674741 IUPAC Name: hafnium(4+) bis(cyclopenta-2,4-dien-1-ide) dichloride SMILES: [Cl-].[Cl-].[Hf+4].[CH-]1C=CC=C1.[CH-]1C=CC=C1

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Specifications

PubChem CID	131674741
CAS	12116-66-4
Molecular Weight (g/mol)	379.58
MDL Number	MFCD00001438,MFCD00001438
SMILES	[Cl-].[Cl-].[Hf+4].[CH-]1C=CC=C1.[CH-]1C=CC=C1
Synonym	bis cyclopentadienyl hafniumdichloride
IUPAC Name	hafnium(4+) bis(cyclopenta-2,4-dien-1-ide) dichloride
InChI Key	CSEGCHWAMVIXSA-UHFFFAOYSA-L
Molecular Formula	C10H10Cl2Hf

342

Methylcyclopentadiene Dimer (so called) (stabilized with TBC), TCI America™

Molecular Formula: C12H16

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Specifications

Molecular Formula	C12H16

343

N-(tert-Butoxycarbonyl)-L-phenylalanine 99.0+%, TCI America™

CAS: 13734-34-4 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.31 MDL Number: MFCD00002663 InChI Key: ZYJPUMXJBDHSIF-NSHDSACASA-N Synonym: boc-phe-oh,boc-l-phenylalanine,boc-phenylalanine,n-tert-butoxycarbonyl-l-phenylalanine,n-boc-l-phenylalanine,n-t-boc-l-phenylalanine,n-alpha-t-boc-l-phenylalanine,n-t-butyloxycarbonyl-l-phenylalanine,l-phenylalanine, n-1,1-dimethylethoxy carbonyl,boc-phe PubChem CID: 77857 IUPAC Name: (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	77857
CAS	13734-34-4
Molecular Weight (g/mol)	265.31
MDL Number	MFCD00002663
SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
Synonym	boc-phe-oh,boc-l-phenylalanine,boc-phenylalanine,n-tert-butoxycarbonyl-l-phenylalanine,n-boc-l-phenylalanine,n-t-boc-l-phenylalanine,n-alpha-t-boc-l-phenylalanine,n-t-butyloxycarbonyl-l-phenylalanine,l-phenylalanine, n-1,1-dimethylethoxy carbonyl,boc-phe
IUPAC Name	(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
InChI Key	ZYJPUMXJBDHSIF-NSHDSACASA-N
Molecular Formula	C14H19NO4

344

Cresol (mixture of isomers) 99.0+%, TCI America™

CAS: 1319-77-3 Molecular Formula: C7H8O MDL Number: MFCD00151099 Synonym: Cresylic Acid, Tricresol, Methylphenol

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Specifications

CAS	1319-77-3
MDL Number	MFCD00151099
Synonym	Cresylic Acid, Tricresol, Methylphenol
Molecular Formula	C7H8O

345

Heptadecane 99.0+%, TCI America™

CAS: 629-78-7 Molecular Formula: C17H36 Molecular Weight (g/mol): 240.475 MDL Number: MFCD00009002 InChI Key: NDJKXXJCMXVBJW-UHFFFAOYSA-N Synonym: n-heptadecane,heptadekan,unii-h7c0j39xum,hexadecane, methyl,h7c0j39xum,heptadecane, analytical standard,normal-heptadecane,heptadecane,dsstox_cid_27061,dsstox_rid_82078 PubChem CID: 12398 ChEBI: CHEBI:16148 IUPAC Name: heptadecane SMILES: CCCCCCCCCCCCCCCCC

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Specifications

PubChem CID	12398
CAS	629-78-7
Molecular Weight (g/mol)	240.475
ChEBI	CHEBI:16148
MDL Number	MFCD00009002
SMILES	CCCCCCCCCCCCCCCCC
Synonym	n-heptadecane,heptadekan,unii-h7c0j39xum,hexadecane, methyl,h7c0j39xum,heptadecane, analytical standard,normal-heptadecane,heptadecane,dsstox_cid_27061,dsstox_rid_82078
IUPAC Name	heptadecane
InChI Key	NDJKXXJCMXVBJW-UHFFFAOYSA-N
Molecular Formula	C17H36

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