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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 M-TOLUATE

SMILES

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

InChI

InChIKey=CPXCDEMFNPKOEF-UHFFFAOYSA-N
InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)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 Sat Dec 16 12:13:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:50 GMT 2023
Record UNII
L4Z76VHS8D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL M-TOLUATE
Systematic Name English
METHYL 3-METHYLBENZOATE
Common Name English
M-TOLUIC ACID, METHYL ESTER
Systematic Name English
NSC-20004
Code English
METHYL M-METHYLBENZOATE
Systematic Name English
BENZOIC ACID, 3-METHYL-, METHYL ESTER
Common Name English
Code System Code Type Description
NSC
20004
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
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CAS
99-36-5
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
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ECHA (EC/EINECS)
202-753-2
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
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FDA UNII
L4Z76VHS8D
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
PRIMARY
PUBCHEM
7435
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
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EPA CompTox
DTXSID2059196
Created by admin on Sat Dec 16 12:13:50 GMT 2023 , Edited by admin on Sat Dec 16 12:13:50 GMT 2023
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