Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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2,596 – 2,610 of 57,283 results

2,596

1,3-Benzenedimethanol, 98%

CAS: 626-18-6 Molecular Formula: C₈H₁₀O₂ Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004649 InChI Key: YWMLORGQOFONNT-UHFFFAOYSA-N Synonym: 1,3-benzenedimethanol,3-hydroxymethyl phenyl methanol,1,3-phenylenedimethanol,1,3-dihydroxymethylbenzene,m-xylene-alpha,alpha'-diol,m-xylene glycol,m-xylylene glycol,3-hydroxymethyl phenyl methan-1-ol,m-xylylenalkohol,m-benzenedimethanol PubChem CID: 69374 IUPAC Name: [3-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)CO

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Specifications

PubChem CID	69374
CAS	626-18-6
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00004649
SMILES	C1=CC(=CC(=C1)CO)CO
Synonym	1,3-benzenedimethanol,3-hydroxymethyl phenyl methanol,1,3-phenylenedimethanol,1,3-dihydroxymethylbenzene,m-xylene-alpha,alpha'-diol,m-xylene glycol,m-xylylene glycol,3-hydroxymethyl phenyl methan-1-ol,m-xylylenalkohol,m-benzenedimethanol
IUPAC Name	[3-(hydroxymethyl)phenyl]methanol
InChI Key	YWMLORGQOFONNT-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₂

2,597

4-(Hydroxymethyl)benzeneboronic acid pinacol ester

CAS: 302348-51-2 Molecular Formula: C13H19BO3 Molecular Weight (g/mol): 234.102 MDL Number: MFCD09837617 InChI Key: GZZBZWITJNATOD-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135 PubChem CID: 11402050 IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO

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Specifications

PubChem CID	11402050
CAS	302348-51-2
Molecular Weight (g/mol)	234.102
MDL Number	MFCD09837617
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO
Synonym	4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135
IUPAC Name	[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI Key	GZZBZWITJNATOD-UHFFFAOYSA-N
Molecular Formula	C13H19BO3

2,598

2-Chlorobenzyl chloride, 98+%

CAS: 611-19-8 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.025 MDL Number: MFCD00000893 InChI Key: BASMANVIUSSIIM-UHFFFAOYSA-N Synonym: 2-chlorobenzyl chloride,1-chloro-2-chloromethyl benzene,2-chlorobenzylchloride,o-chlorobenzyl chloride,alpha,2-dichlorotoluene,benzene, 1-chloro-2-chloromethyl,alpha,o-dichlorotoluene,ar,alpha-dichlorotoluene,ortho-alpha-dichlorotoluene,unii-h58di83rmd PubChem CID: 11906 IUPAC Name: 1-chloro-2-(chloromethyl)benzene SMILES: C1=CC=C(C(=C1)CCl)Cl

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Specifications

PubChem CID	11906
CAS	611-19-8
Molecular Weight (g/mol)	161.025
MDL Number	MFCD00000893
SMILES	C1=CC=C(C(=C1)CCl)Cl
Synonym	2-chlorobenzyl chloride,1-chloro-2-chloromethyl benzene,2-chlorobenzylchloride,o-chlorobenzyl chloride,alpha,2-dichlorotoluene,benzene, 1-chloro-2-chloromethyl,alpha,o-dichlorotoluene,ar,alpha-dichlorotoluene,ortho-alpha-dichlorotoluene,unii-h58di83rmd
IUPAC Name	1-chloro-2-(chloromethyl)benzene
InChI Key	BASMANVIUSSIIM-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2

2,599

2,4-Bis(chloromethyl)mesitylene, 98%

CAS: 1585-17-7 Molecular Formula: C11H14Cl2 Molecular Weight (g/mol): 217.13 MDL Number: MFCD00013681 InChI Key: JMNDJDCLOQRCJV-UHFFFAOYSA-N Synonym: 2,4-bis chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethyl mesitylene,benzene, 2,4-bis chloromethyl-1,3,5-trimethyl,2,4-di chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethylmesitylene,acmc-209dhz,bis-chloromethyl mesitylene,bis-chloromethyl-mesitylene,jmndjdcloqrcjv-uhfffaoysa,2,4-bis-chloromethyl mesitylene PubChem CID: 137095 IUPAC Name: 2,4-bis(chloromethyl)-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(CCl)C(C)=C1CCl

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Specifications

PubChem CID	137095
CAS	1585-17-7
Molecular Weight (g/mol)	217.13
MDL Number	MFCD00013681
SMILES	CC1=CC(C)=C(CCl)C(C)=C1CCl
Synonym	2,4-bis chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethyl mesitylene,benzene, 2,4-bis chloromethyl-1,3,5-trimethyl,2,4-di chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethylmesitylene,acmc-209dhz,bis-chloromethyl mesitylene,bis-chloromethyl-mesitylene,jmndjdcloqrcjv-uhfffaoysa,2,4-bis-chloromethyl mesitylene
IUPAC Name	2,4-bis(chloromethyl)-1,3,5-trimethylbenzene
InChI Key	JMNDJDCLOQRCJV-UHFFFAOYSA-N
Molecular Formula	C11H14Cl2

2,600

4-Ethoxybenzyl alcohol, 98%

CAS: 6214-44-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00004655 InChI Key: UKFLLQIRBABMKF-UHFFFAOYSA-N Synonym: 4-ethoxybenzyl alcohol,4-ethoxyphenyl methanol,p-ethoxybenzyl alcohol,4-ethoxybenzylalcohol,benzenemethanol, 4-ethoxy,4-ethoxy-benzyl alcohol,benzenemethanol,4-ethoxy,4-ethoxyphenyl methanol #,4-ethoxyphenyl methan-1-ol,4-ethyloxy phenyl methanol PubChem CID: 80345 IUPAC Name: (4-ethoxyphenyl)methanol SMILES: CCOC1=CC=C(CO)C=C1

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Specifications

PubChem CID	80345
CAS	6214-44-4
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00004655
SMILES	CCOC1=CC=C(CO)C=C1
Synonym	4-ethoxybenzyl alcohol,4-ethoxyphenyl methanol,p-ethoxybenzyl alcohol,4-ethoxybenzylalcohol,benzenemethanol, 4-ethoxy,4-ethoxy-benzyl alcohol,benzenemethanol,4-ethoxy,4-ethoxyphenyl methanol #,4-ethoxyphenyl methan-1-ol,4-ethyloxy phenyl methanol
IUPAC Name	(4-ethoxyphenyl)methanol
InChI Key	UKFLLQIRBABMKF-UHFFFAOYSA-N
Molecular Formula	C9H12O2

2,601

Econazole nitrate

CAS: 24169-02-6 Molecular Formula: C18H16Cl3N3O4 Molecular Weight (g/mol): 444.693 MDL Number: MFCD00058160 InChI Key: DDXORDQKGIZAME-UHFFFAOYSA-N Synonym: econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150 PubChem CID: 68589 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

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Specifications

PubChem CID	68589
CAS	24169-02-6
Molecular Weight (g/mol)	444.693
MDL Number	MFCD00058160
SMILES	C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
Synonym	econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150
IUPAC Name	1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
InChI Key	DDXORDQKGIZAME-UHFFFAOYSA-N
Molecular Formula	C18H16Cl3N3O4

2,602

o-Xylylene dibromide, 97%

CAS: 91-13-4 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr

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Specifications

PubChem CID	66665
CAS	91-13-4
Molecular Weight (g/mol)	263.96
MDL Number	MFCD00000175
SMILES	C1=CC=C(C(=C1)CBr)CBr
Synonym	1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776
IUPAC Name	1,2-bis(bromomethyl)benzene
InChI Key	KGKAYWMGPDWLQZ-UHFFFAOYSA-N
Molecular Formula	C8H8Br2

2,603

N-(4-Hydroxyphenyl)thiourea, 98+%

CAS: 1520-27-0 Molecular Formula: C7H8N2OS Molecular Weight (g/mol): 168.214 MDL Number: MFCD00041186 InChI Key: QICKOOCQSYZYQB-UHFFFAOYSA-N Synonym: 1-4-hydroxyphenyl-2-thiourea,1-4-hydroxyphenyl thiourea,4-hydroxyphenyl thiourea,p-hydroxyphenylthiourea,usaf b-75,n-4-hydroxyphenyl thiourea,urea, 1-p-hydroxyphenyl-2-thio,thiourea, 4-hydroxyphenyl,4-hydroxy-phenyl-thiourea,4-aminothioxomethyl amino phenol PubChem CID: 2759331 IUPAC Name: (4-hydroxyphenyl)thiourea SMILES: C1=CC(=CC=C1NC(=S)N)O

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Specifications

PubChem CID	2759331
CAS	1520-27-0
Molecular Weight (g/mol)	168.214
MDL Number	MFCD00041186
SMILES	C1=CC(=CC=C1NC(=S)N)O
Synonym	1-4-hydroxyphenyl-2-thiourea,1-4-hydroxyphenyl thiourea,4-hydroxyphenyl thiourea,p-hydroxyphenylthiourea,usaf b-75,n-4-hydroxyphenyl thiourea,urea, 1-p-hydroxyphenyl-2-thio,thiourea, 4-hydroxyphenyl,4-hydroxy-phenyl-thiourea,4-aminothioxomethyl amino phenol
IUPAC Name	(4-hydroxyphenyl)thiourea
InChI Key	QICKOOCQSYZYQB-UHFFFAOYSA-N
Molecular Formula	C7H8N2OS

2,604

N,N'-Diphenylthiourea, 98%

CAS: 102-08-9 Molecular Formula: C13H12N2S Molecular Weight (g/mol): 228.31 MDL Number: MFCD00004921 InChI Key: FCSHMCFRCYZTRQ-UHFFFAOYSA-N Synonym: thiocarbanilide,diphenylthiourea,1,3-diphenyl-2-thiourea,n,n'-diphenylthiourea,sulfocarbanilide,sym-diphenylthiourea,thiourea, n,n'-diphenyl,stabilisator c,rhenocure ca,vulkacit ca PubChem CID: 700999 IUPAC Name: 1,3-diphenylthiourea SMILES: S=C(NC1=CC=CC=C1)NC1=CC=CC=C1

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Specifications

PubChem CID	700999
CAS	102-08-9
Molecular Weight (g/mol)	228.31
MDL Number	MFCD00004921
SMILES	S=C(NC1=CC=CC=C1)NC1=CC=CC=C1
Synonym	thiocarbanilide,diphenylthiourea,1,3-diphenyl-2-thiourea,n,n'-diphenylthiourea,sulfocarbanilide,sym-diphenylthiourea,thiourea, n,n'-diphenyl,stabilisator c,rhenocure ca,vulkacit ca
IUPAC Name	1,3-diphenylthiourea
InChI Key	FCSHMCFRCYZTRQ-UHFFFAOYSA-N
Molecular Formula	C13H12N2S

2,605

1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea

CAS: 1060-92-0 Molecular Formula: C17H8F12N2S Molecular Weight (g/mol): 500.31 MDL Number: MFCD00829878 InChI Key: RWXWQJYJWJNJNW-UHFFFAOYSA-N Synonym: Schreiner's Thiourea Catalyst IUPAC Name: 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea SMILES: FC(F)(F)C1=CC(=CC(NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=C1)C(F)(F)F

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Specifications

CAS	1060-92-0
Molecular Weight (g/mol)	500.31
MDL Number	MFCD00829878
SMILES	FC(F)(F)C1=CC(=CC(NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=C1)C(F)(F)F
Synonym	Schreiner's Thiourea Catalyst
IUPAC Name	1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea
InChI Key	RWXWQJYJWJNJNW-UHFFFAOYSA-N
Molecular Formula	C17H8F12N2S

2,606

N-(2-Hydroxyphenyl)thiourea, 97%

CAS: 1520-26-9 Molecular Formula: C7H8N2OS Molecular Weight (g/mol): 168.214 MDL Number: MFCD00041159 InChI Key: VYBCFZXLXJUFPM-UHFFFAOYSA-N Synonym: 1-2-hydroxyphenyl thiourea,2-hydroxyphenyl thiourea,2-hydroxy-phenyl-thiourea,2-aminothioxomethyl amino phenol,o-hydroxyphenylthiourea,acmc-20ant0,thiourea, hydroxyphenyl,1-o-hydroxyphenyl thiourea,n-2-hydroxyphenyl thiourea,thiourea, 2-hydroxyphenyl PubChem CID: 3003569 IUPAC Name: (2-hydroxyphenyl)thiourea SMILES: C1=CC=C(C(=C1)NC(=S)N)O

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Specifications

PubChem CID	3003569
CAS	1520-26-9
Molecular Weight (g/mol)	168.214
MDL Number	MFCD00041159
SMILES	C1=CC=C(C(=C1)NC(=S)N)O
Synonym	1-2-hydroxyphenyl thiourea,2-hydroxyphenyl thiourea,2-hydroxy-phenyl-thiourea,2-aminothioxomethyl amino phenol,o-hydroxyphenylthiourea,acmc-20ant0,thiourea, hydroxyphenyl,1-o-hydroxyphenyl thiourea,n-2-hydroxyphenyl thiourea,thiourea, 2-hydroxyphenyl
IUPAC Name	(2-hydroxyphenyl)thiourea
InChI Key	VYBCFZXLXJUFPM-UHFFFAOYSA-N
Molecular Formula	C7H8N2OS

2,607

4-Hydroxy-3-methoxybenzoic acid, 97+%

CAS: 121-34-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002551 InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-N Synonym: vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 PubChem CID: 8468 ChEBI: CHEBI:30816 IUPAC Name: 4-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC(=CC=C1O)C(O)=O

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Specifications

PubChem CID	8468
CAS	121-34-6
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:30816
MDL Number	MFCD00002551
SMILES	COC1=CC(=CC=C1O)C(O)=O
Synonym	vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8
IUPAC Name	4-hydroxy-3-methoxybenzoic acid
InChI Key	WKOLLVMJNQIZCI-UHFFFAOYSA-N
Molecular Formula	C8H8O4

2,608

4-Methoxybenzoic anhydride, 98%

CAS: 794-94-5 Molecular Formula: C16H14O5 Molecular Weight (g/mol): 286.283 MDL Number: MFCD00017175 InChI Key: YGMHIBLUWGDWKP-UHFFFAOYSA-N Synonym: 4-methoxybenzoic anhydride,p-anisic anhydride,p-anisic acid anhydride,benzoic acid, 4-methoxy-, anhydride,p-methoxybenzoic anhydride,4-anisic anhydride,4-methoxybenzoic acid anhydride,4-methoxybenzoyl 4-methoxybenzoate,4-methoxyphenyl anhydride,anisic anhydride PubChem CID: 69928 IUPAC Name: (4-methoxybenzoyl) 4-methoxybenzoate SMILES: COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC

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Specifications

PubChem CID	69928
CAS	794-94-5
Molecular Weight (g/mol)	286.283
MDL Number	MFCD00017175
SMILES	COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC
Synonym	4-methoxybenzoic anhydride,p-anisic anhydride,p-anisic acid anhydride,benzoic acid, 4-methoxy-, anhydride,p-methoxybenzoic anhydride,4-anisic anhydride,4-methoxybenzoic acid anhydride,4-methoxybenzoyl 4-methoxybenzoate,4-methoxyphenyl anhydride,anisic anhydride
IUPAC Name	(4-methoxybenzoyl) 4-methoxybenzoate
InChI Key	YGMHIBLUWGDWKP-UHFFFAOYSA-N
Molecular Formula	C16H14O5

2,609

Methyl 4-methoxysalicylate, 98%, Thermo Scientific™

CAS: 5446-02-6 Molecular Formula: C₉H₁₀O₄ Molecular Weight (g/mol): 182.18 MDL Number: MFCD00008424 InChI Key: ZICRWXFGZCVTBZ-UHFFFAOYSA-N Synonym: Methyle2-hydroxy-4-methoxybenzoate IUPAC Name: methyl 2-hydroxy-4-methoxybenzoate SMILES: COC(=O)C1=CC=C(OC)C=C1O

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Specifications

CAS	5446-02-6
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00008424
SMILES	COC(=O)C1=CC=C(OC)C=C1O
Synonym	Methyle2-hydroxy-4-methoxybenzoate
IUPAC Name	methyl 2-hydroxy-4-methoxybenzoate
InChI Key	ZICRWXFGZCVTBZ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₄

2,610

Methyl 4-methoxybenzoate, 98+%

CAS: 121-98-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008437 InChI Key: DDIZAANNODHTRB-UHFFFAOYSA-N Synonym: methyl anisate,methyl p-anisate,methyl p-methoxybenzoate,4-methoxybenzoic acid methyl ester,p-anisic acid, methyl ester,benzoic acid, 4-methoxy-, methyl ester,methyl 4-anisate,p-methoxybenzoic acid methyl ester,p-anisic acid methyl ester,benzoic acid, p-methoxy-, methyl ester PubChem CID: 8499 ChEBI: CHEBI:86903 IUPAC Name: methyl 4-methoxybenzoate SMILES: COC1=CC=C(C=C1)C(=O)OC

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Specifications

PubChem CID	8499
CAS	121-98-2
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:86903
MDL Number	MFCD00008437
SMILES	COC1=CC=C(C=C1)C(=O)OC
Synonym	methyl anisate,methyl p-anisate,methyl p-methoxybenzoate,4-methoxybenzoic acid methyl ester,p-anisic acid, methyl ester,benzoic acid, 4-methoxy-, methyl ester,methyl 4-anisate,p-methoxybenzoic acid methyl ester,p-anisic acid methyl ester,benzoic acid, p-methoxy-, methyl ester
IUPAC Name	methyl 4-methoxybenzoate
InChI Key	DDIZAANNODHTRB-UHFFFAOYSA-N
Molecular Formula	C9H10O3

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