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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5,296 – 5,310 of 157,528 results

5,296

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5-Aminoindane, 97%

CAS: 24425-40-9 Molecular Formula: C9H11N Molecular Weight (g/mol): 133.194 MDL Number: MFCD00003803 InChI Key: LEWZOBYWGWKNCK-UHFFFAOYSA-N Synonym: 5-aminoindan,indan-5-amine,indan-5-ylamine,5-indanamine,5-aminohydrindene,5-aminoindane,indane-5-ylamine,1h-inden-5-amine, 2,3-dihydro,2,3-dihydro-1h-inden-5-ylamine,6-aminoindane PubChem CID: 90496 IUPAC Name: 2,3-dihydro-1H-inden-5-amine SMILES: C1CC2=C(C1)C=C(C=C2)N

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PubChem CID	90496
CAS	24425-40-9
Molecular Weight (g/mol)	133.194
MDL Number	MFCD00003803
SMILES	C1CC2=C(C1)C=C(C=C2)N
Synonym	5-aminoindan,indan-5-amine,indan-5-ylamine,5-indanamine,5-aminohydrindene,5-aminoindane,indane-5-ylamine,1h-inden-5-amine, 2,3-dihydro,2,3-dihydro-1h-inden-5-ylamine,6-aminoindane
IUPAC Name	2,3-dihydro-1H-inden-5-amine
InChI Key	LEWZOBYWGWKNCK-UHFFFAOYSA-N
Molecular Formula	C9H11N

5,297

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3,5-Dimethyl-4-nitrobenzoic acid, 97%

CAS: 3095-38-3 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014699 InChI Key: RBAVFNOGEPCOQI-UHFFFAOYSA-N PubChem CID: 249413 IUPAC Name: 3,5-dimethyl-4-nitrobenzoic acid SMILES: CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O

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Specifications

PubChem CID	249413
CAS	3095-38-3
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00014699
SMILES	CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O
IUPAC Name	3,5-dimethyl-4-nitrobenzoic acid
InChI Key	RBAVFNOGEPCOQI-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

5,298

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1,2-Bis(phenylthio)ethane, 98+%

CAS: 622-20-8 Molecular Formula: C14H14S2 Molecular Weight (g/mol): 246.39 MDL Number: MFCD00014085 InChI Key: MHCVYAFXPIMYRD-UHFFFAOYSA-N Synonym: 1,2-bis phenylthio ethane,ethane, 1,2-bis phenylthio,bis phenylthio ethane,1,1'-ethane-1,2-diylbis thio dibenzene,2-phenylsulfanyl ethyl sulfanyl benzene,benzene, 1,1'-1,2-ethanediylbis thio bis,1,1'-1,2-ethanediylbis thio bis-benzene,1,1'-ethane-1,2-diylbis thio bisbenzene,2-phenylthioethylthio benzene PubChem CID: 69317 IUPAC Name: 2-phenylsulfanylethylsulfanylbenzene SMILES: C(CSC1=CC=CC=C1)SC1=CC=CC=C1

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Specifications

PubChem CID	69317
CAS	622-20-8
Molecular Weight (g/mol)	246.39
MDL Number	MFCD00014085
SMILES	C(CSC1=CC=CC=C1)SC1=CC=CC=C1
Synonym	1,2-bis phenylthio ethane,ethane, 1,2-bis phenylthio,bis phenylthio ethane,1,1'-ethane-1,2-diylbis thio dibenzene,2-phenylsulfanyl ethyl sulfanyl benzene,benzene, 1,1'-1,2-ethanediylbis thio bis,1,1'-1,2-ethanediylbis thio bis-benzene,1,1'-ethane-1,2-diylbis thio bisbenzene,2-phenylthioethylthio benzene
IUPAC Name	2-phenylsulfanylethylsulfanylbenzene
InChI Key	MHCVYAFXPIMYRD-UHFFFAOYSA-N
Molecular Formula	C14H14S2

5,299

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4-Hydroxy-3,5-diiodobenzoic acid, 97%

CAS: 618-76-8 Molecular Formula: C7H4I2O3 Molecular Weight (g/mol): 389.92 MDL Number: MFCD00016532 InChI Key: XREKTVACBXQCSB-UHFFFAOYSA-N Synonym: 3,5-diiodo-4-hydroxybenzoic acid,ioxynil acid,ioxynic acid,benzoic acid, 4-hydroxy-3,5-diiodo,unii-8c0qv5jk0d,4-hydroxy-3,5-diiodo-benzoic acid,8c0qv5jk0d,chembl83650,benzoic acid, 3,5-diiodo-4-hydroxy,acmc-1b674 PubChem CID: 12065 IUPAC Name: 4-hydroxy-3,5-diiodobenzoic acid SMILES: OC(=O)C1=CC(I)=C(O)C(I)=C1

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Specifications

PubChem CID	12065
CAS	618-76-8
Molecular Weight (g/mol)	389.92
MDL Number	MFCD00016532
SMILES	OC(=O)C1=CC(I)=C(O)C(I)=C1
Synonym	3,5-diiodo-4-hydroxybenzoic acid,ioxynil acid,ioxynic acid,benzoic acid, 4-hydroxy-3,5-diiodo,unii-8c0qv5jk0d,4-hydroxy-3,5-diiodo-benzoic acid,8c0qv5jk0d,chembl83650,benzoic acid, 3,5-diiodo-4-hydroxy,acmc-1b674
IUPAC Name	4-hydroxy-3,5-diiodobenzoic acid
InChI Key	XREKTVACBXQCSB-UHFFFAOYSA-N
Molecular Formula	C7H4I2O3

5,300

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2-Chloro-4,5-dimethylphenol, 98%, Thermo Scientific Chemicals

CAS: 1124-04-5 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00002173 InChI Key: PSOJLBXHRBFLLQ-UHFFFAOYSA-N Synonym: banol phenol,phenol, 2-chloro-4,5-dimethyl,2-chloro-4,5-xylenol,6-chloro-3,4-xylenol,3,4-dimethyl-6-chlorophenol,3,4-xylenol, 6-chloro,acmc-20anzv,3, 6-chloro,dsstox_cid_21404,dsstox_rid_79715 PubChem CID: 70754 IUPAC Name: 2-chloro-4,5-dimethylphenol SMILES: CC1=CC(=C(C=C1C)Cl)O

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PubChem CID	70754
CAS	1124-04-5
Molecular Weight (g/mol)	156.609
MDL Number	MFCD00002173
SMILES	CC1=CC(=C(C=C1C)Cl)O
Synonym	banol phenol,phenol, 2-chloro-4,5-dimethyl,2-chloro-4,5-xylenol,6-chloro-3,4-xylenol,3,4-dimethyl-6-chlorophenol,3,4-xylenol, 6-chloro,acmc-20anzv,3, 6-chloro,dsstox_cid_21404,dsstox_rid_79715
IUPAC Name	2-chloro-4,5-dimethylphenol
InChI Key	PSOJLBXHRBFLLQ-UHFFFAOYSA-N
Molecular Formula	C8H9ClO

5,301

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2,5-Dimethylbenzyl alcohol, 97+%

CAS: 53957-33-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004625 InChI Key: LEBQTCCCNMTXSF-UHFFFAOYSA-N PubChem CID: 94560 IUPAC Name: (2,5-dimethylphenyl)methanol SMILES: CC1=CC(=C(C=C1)C)CO

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Specifications

PubChem CID	94560
CAS	53957-33-8
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00004625
SMILES	CC1=CC(=C(C=C1)C)CO
IUPAC Name	(2,5-dimethylphenyl)methanol
InChI Key	LEBQTCCCNMTXSF-UHFFFAOYSA-N
Molecular Formula	C9H12O

5,302

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2,4,6-Trimethylbenzyl alcohol, 98+%

CAS: 4170-90-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00014422 InChI Key: LODDFDHPSIYCTK-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl alcohol,mesitylmethanol,mesitylcarbinol,2,4,6-trimethylphenyl methanol,unii-rev3kvt84n,benzenemethanol, 2,4,6-trimethyl,2,4,6-trimethylbenzylic alcohol,benzyl alcohol, 2,4,6-trimethyl,rev3kvt84n,2,4,6-trimethylphenyl methan-1-ol PubChem CID: 20139 IUPAC Name: (2,4,6-trimethylphenyl)methanol SMILES: CC1=CC(=C(C(=C1)C)CO)C

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Specifications

PubChem CID	20139
CAS	4170-90-5
Molecular Weight (g/mol)	150.221
MDL Number	MFCD00014422
SMILES	CC1=CC(=C(C(=C1)C)CO)C
Synonym	2,4,6-trimethylbenzyl alcohol,mesitylmethanol,mesitylcarbinol,2,4,6-trimethylphenyl methanol,unii-rev3kvt84n,benzenemethanol, 2,4,6-trimethyl,2,4,6-trimethylbenzylic alcohol,benzyl alcohol, 2,4,6-trimethyl,rev3kvt84n,2,4,6-trimethylphenyl methan-1-ol
IUPAC Name	(2,4,6-trimethylphenyl)methanol
InChI Key	LODDFDHPSIYCTK-UHFFFAOYSA-N
Molecular Formula	C10H14O

5,303

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4-Bromobenzotrifluoride, 99%

CAS: 402-43-7 Molecular Formula: C₇H₄BrF₃ Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

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Specifications

PubChem CID	67872
CAS	402-43-7
Molecular Weight (g/mol)	225.01
MDL Number	MFCD00000398
SMILES	C1=CC(=CC=C1C(F)(F)F)Br
Synonym	4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name	1-bromo-4-(trifluoromethyl)benzene
InChI Key	XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula	C₇H₄BrF₃

5,304

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3-Bromophenylhydrazine hydrochloride, 98%

CAS: 27246-81-7 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.50 MDL Number: MFCD00012933 InChI Key: RPYIPFXHIKXRKS-UHFFFAOYSA-N Synonym: 3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx PubChem CID: 33757 IUPAC Name: (3-bromophenyl)hydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC(Br)=C1

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PubChem CID	33757
CAS	27246-81-7
Molecular Weight (g/mol)	223.50
MDL Number	MFCD00012933
SMILES	[H+].[Cl-].NNC1=CC=CC(Br)=C1
Synonym	3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx
IUPAC Name	(3-bromophenyl)hydrazine;hydrochloride
InChI Key	RPYIPFXHIKXRKS-UHFFFAOYSA-N
Molecular Formula	C6H8BrClN2

5,305

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Methyl 3,5-dihydroxybenzoate, 97%

CAS: 2150-44-9 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002289 InChI Key: RNVFYQUEEMZKLR-UHFFFAOYSA-N Synonym: 3,5-dihydroxybenzoic acid methyl ester,benzoic acid, 3,5-dihydroxy-, methyl ester,methyl3,5-dihydroxybenzoate,methyl .alpha.-resorcylate,alpha-resorcinol carboxylic acid methyl ester,alpha-resorcylic acid, methyl ester,.alpha.-resorcylic acid, methyl ester,.alpha.-resorcinol carboxylic acid methyl ester,pubchem21357,methyl alpha-resorcylate PubChem CID: 75076 IUPAC Name: methyl 3,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC(O)=C1

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PubChem CID	75076
CAS	2150-44-9
Molecular Weight (g/mol)	168.15
MDL Number	MFCD00002289
SMILES	COC(=O)C1=CC(O)=CC(O)=C1
Synonym	3,5-dihydroxybenzoic acid methyl ester,benzoic acid, 3,5-dihydroxy-, methyl ester,methyl3,5-dihydroxybenzoate,methyl .alpha.-resorcylate,alpha-resorcinol carboxylic acid methyl ester,alpha-resorcylic acid, methyl ester,.alpha.-resorcylic acid, methyl ester,.alpha.-resorcinol carboxylic acid methyl ester,pubchem21357,methyl alpha-resorcylate
IUPAC Name	methyl 3,5-dihydroxybenzoate
InChI Key	RNVFYQUEEMZKLR-UHFFFAOYSA-N
Molecular Formula	C8H8O4

5,306

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4-Ethylbenzoic acid, 97%

CAS: 619-64-7 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O

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PubChem CID	12086
CAS	619-64-7
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00002570
SMILES	CCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid;
IUPAC Name	4-ethylbenzoic acid
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

5,307

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Chlorohydroquinone, 90%, Tech.

CAS: 615-67-8 Molecular Formula: C₆H₅ClO₂ Molecular Weight (g/mol): 144.56 MDL Number: MFCD00002341 InChI Key: AJPXTSMULZANCB-UHFFFAOYSA-N Synonym: chlorohydroquinone,2-chlorohydroquinone,monochlorohydroquinone,chloroquinol,1,4-benzenediol, 2-chloro,2-chloro-1,4-benzenediol,hydroquinone, chloro,2-chloro-1,4-dihydroxybenzene,2,5-dihydroxychlorobenzene,1,4-dihydroxy-2-chlorobenzene PubChem CID: 301 ChEBI: CHEBI:27675 IUPAC Name: 2-chlorobenzene-1,4-diol SMILES: C1=CC(=C(C=C1O)Cl)O

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Specifications

PubChem CID	301
CAS	615-67-8
Molecular Weight (g/mol)	144.56
ChEBI	CHEBI:27675
MDL Number	MFCD00002341
SMILES	C1=CC(=C(C=C1O)Cl)O
Synonym	chlorohydroquinone,2-chlorohydroquinone,monochlorohydroquinone,chloroquinol,1,4-benzenediol, 2-chloro,2-chloro-1,4-benzenediol,hydroquinone, chloro,2-chloro-1,4-dihydroxybenzene,2,5-dihydroxychlorobenzene,1,4-dihydroxy-2-chlorobenzene
IUPAC Name	2-chlorobenzene-1,4-diol
InChI Key	AJPXTSMULZANCB-UHFFFAOYSA-N
Molecular Formula	C₆H₅ClO₂

5,308

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2-Bromoisophthalaldehyde, 97%

CAS: 79839-49-9 Molecular Formula: C8H5BrO2 Molecular Weight (g/mol): 213.03 MDL Number: MFCD08461034 InChI Key: RZUSSKMZLHKMHU-UHFFFAOYSA-N Synonym: 2-bromoisophthalaldehyde,2-bromobenzene-1,3-dialdehyde,2-bromo-1,3-diformylbenzene,2,6-diformylbromobenzene,2-bromo-benzene-1,3-dicarbaldehyde,2-bromobenzene-1,3-dicarboxaldehyde,1,3-diformyl-2-bromobenzene,1,3-benzenedicarboxaldehyde, 2-bromo,acmc-209pia,ksc495c0d PubChem CID: 11435812 IUPAC Name: 2-bromobenzene-1,3-dicarbaldehyde SMILES: BrC1=C(C=O)C=CC=C1C=O

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Specifications

PubChem CID	11435812
CAS	79839-49-9
Molecular Weight (g/mol)	213.03
MDL Number	MFCD08461034
SMILES	BrC1=C(C=O)C=CC=C1C=O
Synonym	2-bromoisophthalaldehyde,2-bromobenzene-1,3-dialdehyde,2-bromo-1,3-diformylbenzene,2,6-diformylbromobenzene,2-bromo-benzene-1,3-dicarbaldehyde,2-bromobenzene-1,3-dicarboxaldehyde,1,3-diformyl-2-bromobenzene,1,3-benzenedicarboxaldehyde, 2-bromo,acmc-209pia,ksc495c0d
IUPAC Name	2-bromobenzene-1,3-dicarbaldehyde
InChI Key	RZUSSKMZLHKMHU-UHFFFAOYSA-N
Molecular Formula	C8H5BrO2

5,309

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4-Methoxynaphthalene-1-carboxylic acid, 98%

CAS: 13041-62-8 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD02575372 InChI Key: WRQHSQDGYYDRMX-UHFFFAOYSA-N Synonym: 4-methoxy-1-naphthoic acid,4-methoxy-naphthalene-1-carboxylic acid,1-naphthalenecarboxylic acid, 4-methoxy,1-naphthalenecarboxylicacid, 4-methoxy,4-methoxynaphthalenecarboxylic acid,ksc181m4d,4-methoxy-1-naphthalenecarboxylic acid PubChem CID: 765380 IUPAC Name: 4-methoxynaphthalene-1-carboxylic acid SMILES: COC1=CC=C(C2=CC=CC=C21)C(=O)O

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Specifications

PubChem CID	765380
CAS	13041-62-8
Molecular Weight (g/mol)	202.209
MDL Number	MFCD02575372
SMILES	COC1=CC=C(C2=CC=CC=C21)C(=O)O
Synonym	4-methoxy-1-naphthoic acid,4-methoxy-naphthalene-1-carboxylic acid,1-naphthalenecarboxylic acid, 4-methoxy,1-naphthalenecarboxylicacid, 4-methoxy,4-methoxynaphthalenecarboxylic acid,ksc181m4d,4-methoxy-1-naphthalenecarboxylic acid
IUPAC Name	4-methoxynaphthalene-1-carboxylic acid
InChI Key	WRQHSQDGYYDRMX-UHFFFAOYSA-N
Molecular Formula	C12H10O3

5,310

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2,6-Dimethylbenzaldehyde, 97%

CAS: 1123-56-4 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00128003 InChI Key: QOJQBWSZHCKOLL-UHFFFAOYSA-N Synonym: m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde PubChem CID: 583841 IUPAC Name: 2,6-dimethylbenzaldehyde SMILES: CC1=C(C(=CC=C1)C)C=O

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Specifications

PubChem CID	583841
CAS	1123-56-4
Molecular Weight (g/mol)	134.178
MDL Number	MFCD00128003
SMILES	CC1=C(C(=CC=C1)C)C=O
Synonym	m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde
IUPAC Name	2,6-dimethylbenzaldehyde
InChI Key	QOJQBWSZHCKOLL-UHFFFAOYSA-N
Molecular Formula	C9H10O

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