U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O3
Molecular Weight 178.1846
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIC ACID, ACETYLMETHYL ESTER

SMILES

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

InChI

InChIKey=JJANSRGIKCRCFG-UHFFFAOYSA-N
InChI=1S/C10H10O3/c1-8(11)7-13-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H10O3
Molecular Weight 178.1846
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 13:05:57 UTC 2023
Edited
by admin
on Sat Dec 16 13:05:57 UTC 2023
Record UNII
OP1T9NK84Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, ACETYLMETHYL ESTER
Common Name English
(BENZOYLOXY)ACETONE
Common Name English
2-PROPANONE, HYDROXY-, BENZOATE
Systematic Name English
2-OXOPROPYL BENZOATE
Systematic Name English
ACETYLMETHYL BENZOATE
Common Name English
BENZOIC ACID ACETONYL ESTER
Common Name English
1-(BENZOYLOXY)-2-PROPANONE
Systematic Name English
NSC-5667
Code English
3-(BENZOYLOXY)-2-PROPANONE
Systematic Name English
2-PROPANONE, 1-(BENZOYLOXY)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23137
Created by admin on Sat Dec 16 13:05:57 UTC 2023 , Edited by admin on Sat Dec 16 13:05:57 UTC 2023
PRIMARY
FDA UNII
OP1T9NK84Z
Created by admin on Sat Dec 16 13:05:57 UTC 2023 , Edited by admin on Sat Dec 16 13:05:57 UTC 2023
PRIMARY
CAS
6656-60-6
Created by admin on Sat Dec 16 13:05:57 UTC 2023 , Edited by admin on Sat Dec 16 13:05:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID80216743
Created by admin on Sat Dec 16 13:05:57 UTC 2023 , Edited by admin on Sat Dec 16 13:05:57 UTC 2023
PRIMARY
NSC
5667
Created by admin on Sat Dec 16 13:05:57 UTC 2023 , Edited by admin on Sat Dec 16 13:05:57 UTC 2023
PRIMARY