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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O2
Molecular Weight 150.1745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl o-toluate

SMILES

COC(=O)C1=C(C)C=CC=C1

InChI

InChIKey=WVWZECQNFWFVFW-UHFFFAOYSA-N
InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H10O2
Molecular Weight 150.1745
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:12:24 GMT 2025
Edited
by admin
on Mon Mar 31 22:12:24 GMT 2025
Record UNII
MC8KDB9FUW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl o-toluate
Common Name English
NSC-9402
Preferred Name English
METHYL ORTHOTOLUATE
Systematic Name English
METHYL O-METHYLBENZOATE
Common Name English
2-TOLUIC ACID METHYL ESTER
Systematic Name English
O-TOLUIC ACID, METHYL ESTER
Common Name English
2-METHYLBENZOIC ACID METHYL ESTER
Systematic Name English
BENZOIC ACID, 2-METHYL-, METHYL ESTER
Systematic Name English
METHYL 2-METHYLBENZOATE
Systematic Name English
METHYL 2-TOLUATE
Systematic Name English
Code System Code Type Description
CAS
89-71-4
Created by admin on Mon Mar 31 22:12:24 GMT 2025 , Edited by admin on Mon Mar 31 22:12:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-932-2
Created by admin on Mon Mar 31 22:12:24 GMT 2025 , Edited by admin on Mon Mar 31 22:12:24 GMT 2025
PRIMARY
NSC
9402
Created by admin on Mon Mar 31 22:12:24 GMT 2025 , Edited by admin on Mon Mar 31 22:12:24 GMT 2025
PRIMARY
PUBCHEM
33094
Created by admin on Mon Mar 31 22:12:24 GMT 2025 , Edited by admin on Mon Mar 31 22:12:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID6048208
Created by admin on Mon Mar 31 22:12:24 GMT 2025 , Edited by admin on Mon Mar 31 22:12:24 GMT 2025
PRIMARY
FDA UNII
MC8KDB9FUW
Created by admin on Mon Mar 31 22:12:24 GMT 2025 , Edited by admin on Mon Mar 31 22:12:24 GMT 2025
PRIMARY