Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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6,931 – 6,945 of 114,994 results

6,931

(Phenylhydrazono)malononitrile 96.0+%, TCI America™

CAS: 306-18-3 Molecular Formula: C9H6N4 Molecular Weight (g/mol): 170.175 MDL Number: MFCD00195983 InChI Key: MENUYOGJCXAFFU-UHFFFAOYSA-N PubChem CID: 67541 IUPAC Name: 2-(phenylhydrazinylidene)propanedinitrile SMILES: C1=CC=C(C=C1)NN=C(C#N)C#N

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Specifications

PubChem CID	67541
CAS	306-18-3
Molecular Weight (g/mol)	170.175
MDL Number	MFCD00195983
SMILES	C1=CC=C(C=C1)NN=C(C#N)C#N
IUPAC Name	2-(phenylhydrazinylidene)propanedinitrile
InChI Key	MENUYOGJCXAFFU-UHFFFAOYSA-N
Molecular Formula	C9H6N4

6,932

2-Iodoanisole (stabilized with Copper chip) 98.0+%, TCI America™

CAS: 529-28-2 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001039 InChI Key: DVQWNQBEUKXONL-UHFFFAOYSA-N Synonym: 2-iodoanisole,o-iodoanisole,benzene, 1-iodo-2-methoxy,iodoanisole,2-methoxyiodobenzene,o-anisyl iodide,2-iodophenol methyl ether,anisole, o-iodo,2-iodophenyl methyl ether,1-iodo-2-methoxy-benzene PubChem CID: 68257 ChEBI: CHEBI:16355 IUPAC Name: 1-iodo-2-methoxybenzene SMILES: COC1=CC=CC=C1I

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Specifications

PubChem CID	68257
CAS	529-28-2
Molecular Weight (g/mol)	234.036
ChEBI	CHEBI:16355
MDL Number	MFCD00001039
SMILES	COC1=CC=CC=C1I
Synonym	2-iodoanisole,o-iodoanisole,benzene, 1-iodo-2-methoxy,iodoanisole,2-methoxyiodobenzene,o-anisyl iodide,2-iodophenol methyl ether,anisole, o-iodo,2-iodophenyl methyl ether,1-iodo-2-methoxy-benzene
IUPAC Name	1-iodo-2-methoxybenzene
InChI Key	DVQWNQBEUKXONL-UHFFFAOYSA-N
Molecular Formula	C7H7IO

6,933

2-Hydroxyphenylacetic Acid 98.0+%, TCI America™

CAS: 614-75-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00004323 InChI Key: CCVYRRGZDBSHFU-UHFFFAOYSA-N Synonym: 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid PubChem CID: 11970 ChEBI: CHEBI:28478 IUPAC Name: 2-(2-hydroxyphenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)O

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Specifications

PubChem CID	11970
CAS	614-75-5
Molecular Weight (g/mol)	152.149
ChEBI	CHEBI:28478
MDL Number	MFCD00004323
SMILES	C1=CC=C(C(=C1)CC(=O)O)O
Synonym	2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid
IUPAC Name	2-(2-hydroxyphenyl)acetic acid
InChI Key	CCVYRRGZDBSHFU-UHFFFAOYSA-N
Molecular Formula	C8H8O3

6,934

5-Hydroxy-1,4-naphthoquinone 96.0+%, TCI America™

CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxy-1,4-dihydronaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O

Pricing & Availability
Specifications

PubChem CID	3806
CAS	481-39-0
Molecular Weight (g/mol)	174.16
ChEBI	CHEBI:15794
MDL Number	MFCD00001684
SMILES	OC1=CC=CC2=C1C(=O)C=CC2=O
Synonym	juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon
IUPAC Name	5-hydroxy-1,4-dihydronaphthalene-1,4-dione
InChI Key	KQPYUDDGWXQXHS-UHFFFAOYSA-N
Molecular Formula	C10H6O3

6,935

9-(Hydroxymethyl)anthracene 98.0+%, TCI America™

CAS: 1468-95-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00001264 InChI Key: JCJNNHDZTLRSGN-UHFFFAOYSA-N Synonym: 9-anthracenemethanol,9-hydroxymethylanthracene,9-anthrylcarbinol,9-methylolanthracene,9-anthrylmethanol,9-hydroxymethylantracene,9-anthracene methanol,9-hydroxymethyl anthracene,anthracene-9-carbinol,ccris 7297 PubChem CID: 73848 IUPAC Name: anthracen-9-ylmethanol SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO

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Specifications

PubChem CID	73848
CAS	1468-95-7
Molecular Weight (g/mol)	208.26
MDL Number	MFCD00001264
SMILES	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO
Synonym	9-anthracenemethanol,9-hydroxymethylanthracene,9-anthrylcarbinol,9-methylolanthracene,9-anthrylmethanol,9-hydroxymethylantracene,9-anthracene methanol,9-hydroxymethyl anthracene,anthracene-9-carbinol,ccris 7297
IUPAC Name	anthracen-9-ylmethanol
InChI Key	JCJNNHDZTLRSGN-UHFFFAOYSA-N
Molecular Formula	C15H12O

6,936

Honokiol 95.0+%, TCI America™

CAS: 35354-74-6 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00016674 InChI Key: FVYXIJYOAGAUQK-UHFFFAOYSA-N Synonym: honokiol,5,3'-diallyl-2,4'-dihydroxybiphenyl,3,5'-diallyl-4,2'-dihydroxybiphenyl,unii-11513cco0n,chembl16901,3',5-diallyl-1,1'-biphenyl-2,4'-diol,4-allyl-2-3-allyl-4-hydroxy-phenyl phenol,3',5-diallyl-2,4'-biphenyldiol,3',5-diallylbiphenyl-2,4'-diol,5,3′-diallyl-2,4′-dihydroxydiphenyl PubChem CID: 72303 ChEBI: CHEBI:5759 IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol SMILES: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

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Specifications

PubChem CID	72303
CAS	35354-74-6
Molecular Weight (g/mol)	266.34
ChEBI	CHEBI:5759
MDL Number	MFCD00016674
SMILES	C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
Synonym	honokiol,5,3'-diallyl-2,4'-dihydroxybiphenyl,3,5'-diallyl-4,2'-dihydroxybiphenyl,unii-11513cco0n,chembl16901,3',5-diallyl-1,1'-biphenyl-2,4'-diol,4-allyl-2-3-allyl-4-hydroxy-phenyl phenol,3',5-diallyl-2,4'-biphenyldiol,3',5-diallylbiphenyl-2,4'-diol,5,3′-diallyl-2,4′-dihydroxydiphenyl
IUPAC Name	2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
InChI Key	FVYXIJYOAGAUQK-UHFFFAOYSA-N
Molecular Formula	C18H18O2

6,937

3-Phenylphenol 97.0+%, TCI America™

CAS: 580-51-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00002294 InChI Key: UBXYXCRCOKCZIT-UHFFFAOYSA-N Synonym: 3-hydroxybiphenyl,1,1'-biphenyl-3-ol,biphenyl-3-ol,m-phenylphenol,m-hydroxydiphenyl,3-biphenylol,m-hydroxybiphenyl,3-hydroxydiphenyl,3-phenyl phenol,unii-zu11x47h4o PubChem CID: 11381 ChEBI: CHEBI:34338 IUPAC Name: [1,1'-biphenyl]-3-ol SMILES: OC1=CC=CC(=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11381
CAS	580-51-8
Molecular Weight (g/mol)	170.21
ChEBI	CHEBI:34338
MDL Number	MFCD00002294
SMILES	OC1=CC=CC(=C1)C1=CC=CC=C1
Synonym	3-hydroxybiphenyl,1,1'-biphenyl-3-ol,biphenyl-3-ol,m-phenylphenol,m-hydroxydiphenyl,3-biphenylol,m-hydroxybiphenyl,3-hydroxydiphenyl,3-phenyl phenol,unii-zu11x47h4o
IUPAC Name	[1,1'-biphenyl]-3-ol
InChI Key	UBXYXCRCOKCZIT-UHFFFAOYSA-N
Molecular Formula	C12H10O

6,938

4-(4-Acetoxyphenyl)-2-butanone 96.0+%, TCI America™

CAS: 3572-06-3 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00008704 InChI Key: UMIKWXDGXDJQJK-UHFFFAOYSA-N Synonym: 4-(3-Oxobutyl)phenyl Acetate, Acetic Acid 4-(3-Oxobutyl)phenyl Ester PubChem CID: 19137 IUPAC Name: [4-(3-oxobutyl)phenyl] acetate SMILES: CC(=O)CCC1=CC=C(C=C1)OC(=O)C

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Specifications

PubChem CID	19137
CAS	3572-06-3
Molecular Weight (g/mol)	206.24
MDL Number	MFCD00008704
SMILES	CC(=O)CCC1=CC=C(C=C1)OC(=O)C
Synonym	4-(3-Oxobutyl)phenyl Acetate, Acetic Acid 4-(3-Oxobutyl)phenyl Ester
IUPAC Name	[4-(3-oxobutyl)phenyl] acetate
InChI Key	UMIKWXDGXDJQJK-UHFFFAOYSA-N
Molecular Formula	C12H14O3

6,939

Adapalene 98.0+%, TCI America™

CAS: 106685-40-9 Molecular Formula: C28H28O3 Molecular Weight (g/mol): 412.529 MDL Number: MFCD03106112 InChI Key: LZCDAPDGXCYOEH-UHFFFAOYSA-N Synonym: adapalene,differin,adapalenum,adapaleno,adapaleno inn-spanish,adaferin,6-3-adamantan-1-yl-4-methoxyphenyl-2-naphthoic acid,adapalenum inn-latin,differine,6-3-1-adamantyl-4-methoxyphenyl-2-naphthoic acid PubChem CID: 60164 ChEBI: CHEBI:31174 IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

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Specifications

PubChem CID	60164
CAS	106685-40-9
Molecular Weight (g/mol)	412.529
ChEBI	CHEBI:31174
MDL Number	MFCD03106112
SMILES	COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
Synonym	adapalene,differin,adapalenum,adapaleno,adapaleno inn-spanish,adaferin,6-3-adamantan-1-yl-4-methoxyphenyl-2-naphthoic acid,adapalenum inn-latin,differine,6-3-1-adamantyl-4-methoxyphenyl-2-naphthoic acid
IUPAC Name	6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
InChI Key	LZCDAPDGXCYOEH-UHFFFAOYSA-N
Molecular Formula	C28H28O3

6,940

4-Cyanobenzyl Bromide 98.0+%, TCI America™

CAS: 17201-43-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD00001829 InChI Key: UMLFTCYAQPPZER-UHFFFAOYSA-N Synonym: 4-cyanobenzyl bromide,4-bromomethyl benzonitrile,p-cyanobenzyl bromide,alpha-bromo-p-tolunitrile,benzonitrile, 4-bromomethyl,4-bromomethyl-benzonitrile,alpha-bromo-p-toluonitrile,p-bromomethyl benzonitrile,4-cyano benzyl bromide,benzonitrile, p-bromomethyl PubChem CID: 86996 IUPAC Name: 4-(bromomethyl)benzonitrile SMILES: C1=CC(=CC=C1CBr)C#N

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Specifications

PubChem CID	86996
CAS	17201-43-3
Molecular Weight (g/mol)	196.047
MDL Number	MFCD00001829
SMILES	C1=CC(=CC=C1CBr)C#N
Synonym	4-cyanobenzyl bromide,4-bromomethyl benzonitrile,p-cyanobenzyl bromide,alpha-bromo-p-tolunitrile,benzonitrile, 4-bromomethyl,4-bromomethyl-benzonitrile,alpha-bromo-p-toluonitrile,p-bromomethyl benzonitrile,4-cyano benzyl bromide,benzonitrile, p-bromomethyl
IUPAC Name	4-(bromomethyl)benzonitrile
InChI Key	UMLFTCYAQPPZER-UHFFFAOYSA-N
Molecular Formula	C8H6BrN

6,941

1-(4-Chlorophenylsulfonyl)-3-propylurea 99.0+%, TCI America™

CAS: 94-20-2 Molecular Formula: C10H13ClN2O3S Molecular Weight (g/mol): 276.735 MDL Number: MFCD00079004 InChI Key: RKWGIWYCVPQPMF-UHFFFAOYSA-N Synonym: chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza PubChem CID: 2727 ChEBI: CHEBI:3650 IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-propylurea SMILES: CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl

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Specifications

PubChem CID	2727
CAS	94-20-2
Molecular Weight (g/mol)	276.735
ChEBI	CHEBI:3650
MDL Number	MFCD00079004
SMILES	CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
Synonym	chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza
IUPAC Name	1-(4-chlorophenyl)sulfonyl-3-propylurea
InChI Key	RKWGIWYCVPQPMF-UHFFFAOYSA-N
Molecular Formula	C10H13ClN2O3S

6,942

Quinoxyfen 98.0+%, TCI America™

CAS: 124495-18-7 Molecular Formula: C15H8Cl2FNO Molecular Weight (g/mol): 308.13 MDL Number: MFCD03265638 InChI Key: WRPIRSINYZBGPK-UHFFFAOYSA-N Synonym: quinoxyfen,5,7-dichloro-4-4-fluorophenoxy quinoline,legend,quinoline, 5,7-dichloro-4-4-fluorophenoxy,unii-ppc78j1vcw,quinoxyfen iso:bsi:ansi,ppc78j1vcw,5,7-dichloro-4-quinolyl 4-fluorophenyl ether,acmc-20mr2i,dsstox_cid_14881 PubChem CID: 3391107 ChEBI: CHEBI:82040 IUPAC Name: 5,7-dichloro-4-(4-fluorophenoxy)quinoline SMILES: FC1=CC=C(OC2=C3C(Cl)=CC(Cl)=CC3=NC=C2)C=C1

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Specifications

PubChem CID	3391107
CAS	124495-18-7
Molecular Weight (g/mol)	308.13
ChEBI	CHEBI:82040
MDL Number	MFCD03265638
SMILES	FC1=CC=C(OC2=C3C(Cl)=CC(Cl)=CC3=NC=C2)C=C1
Synonym	quinoxyfen,5,7-dichloro-4-4-fluorophenoxy quinoline,legend,quinoline, 5,7-dichloro-4-4-fluorophenoxy,unii-ppc78j1vcw,quinoxyfen iso:bsi:ansi,ppc78j1vcw,5,7-dichloro-4-quinolyl 4-fluorophenyl ether,acmc-20mr2i,dsstox_cid_14881
IUPAC Name	5,7-dichloro-4-(4-fluorophenoxy)quinoline
InChI Key	WRPIRSINYZBGPK-UHFFFAOYSA-N
Molecular Formula	C15H8Cl2FNO

6,943

Phenyl Acetate 98.0+%, TCI America™

CAS: 122-79-2 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008699 InChI Key: IPBVNPXQWQGGJP-UHFFFAOYSA-N Synonym: acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech PubChem CID: 31229 ChEBI: CHEBI:8082 IUPAC Name: phenyl acetate SMILES: CC(=O)OC1=CC=CC=C1

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Specifications

PubChem CID	31229
CAS	122-79-2
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:8082
MDL Number	MFCD00008699
SMILES	CC(=O)OC1=CC=CC=C1
Synonym	acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech
IUPAC Name	phenyl acetate
InChI Key	IPBVNPXQWQGGJP-UHFFFAOYSA-N
Molecular Formula	C8H8O2

6,944

(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide 98.0+%, TCI America™

CAS: 144222-34-4 Molecular Formula: C21H23N2O2S Molecular Weight (g/mol): 367.49 MDL Number: MFCD02093428 InChI Key: UOPFIWYXBIHPIP-NHCUHLMSSA-O Synonym: 1r,2r---n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r---n-p-tosyl-1,2-diphenylethylenediamine,r,r-tsdpen,r,r-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r-n-p-tosyl-1,2-diphenylethylenediamine,n-1r,2r-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,r,r-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide,1r,2r---n-p-tosyl-1,2-diphenylethylene diamine,1r, 2r---n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,benzenesulfonamide, n-1r,2r-2-amino-1,2-diphenylethyl-4-methyl PubChem CID: 2734565 IUPAC Name: N-[(1R,2R)-2-azaniumyl-1,2-diphenylethyl]-4-methylbenzene-1-sulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1

Pricing & Availability
Specifications

PubChem CID	2734565
CAS	144222-34-4
Molecular Weight (g/mol)	367.49
MDL Number	MFCD02093428
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1
Synonym	1r,2r---n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r---n-p-tosyl-1,2-diphenylethylenediamine,r,r-tsdpen,r,r-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r-n-p-tosyl-1,2-diphenylethylenediamine,n-1r,2r-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,r,r-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide,1r,2r---n-p-tosyl-1,2-diphenylethylene diamine,1r, 2r---n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,benzenesulfonamide, n-1r,2r-2-amino-1,2-diphenylethyl-4-methyl
IUPAC Name	N-[(1R,2R)-2-azaniumyl-1,2-diphenylethyl]-4-methylbenzene-1-sulfonamide
InChI Key	UOPFIWYXBIHPIP-NHCUHLMSSA-O
Molecular Formula	C21H23N2O2S

6,945

p-Tolyl Isovalerate 98.0+%, TCI America™

CAS: 55066-56-3 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00036648 InChI Key: MVDPTWHTUYDLTL-UHFFFAOYSA-N Synonym: Isovaleric Acid p-Tolyl Ester PubChem CID: 62092 IUPAC Name: (4-methylphenyl) 3-methylbutanoate SMILES: CC1=CC=C(C=C1)OC(=O)CC(C)C

Pricing & Availability
Specifications

PubChem CID	62092
CAS	55066-56-3
Molecular Weight (g/mol)	192.258
MDL Number	MFCD00036648
SMILES	CC1=CC=C(C=C1)OC(=O)CC(C)C
Synonym	Isovaleric Acid p-Tolyl Ester
IUPAC Name	(4-methylphenyl) 3-methylbutanoate
InChI Key	MVDPTWHTUYDLTL-UHFFFAOYSA-N
Molecular Formula	C12H16O2

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