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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXYPROPYL BENZOATE, (S)-

SMILES

C[C@H](O)COC(=O)C1=CC=CC=C1

InChI

InChIKey=SCYRDAWUOAHQIE-QMMMGPOBSA-N
InChI=1S/C10H12O3/c1-8(11)7-13-10(12)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12O3
Molecular Weight 180.2005
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:48:30 GMT 2023
Edited
by admin
on Fri Dec 15 16:48:30 GMT 2023
Record UNII
Y15C47H14D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXYPROPYL BENZOATE, (S)-
Systematic Name English
J72.420C
Code English
(2S)-1,2-PROPANEDIOL 1-BENZOATE
Systematic Name English
(S)-2-HYDROXYPROPYL BENZOATE
Systematic Name English
1,2-PROPANEDIOL, 1-BENZOATE, (S)-
Systematic Name English
1,2-PROPANEDIOL, 1-BENZOATE, (2S)-
Common Name English
Code System Code Type Description
CAS
141396-05-6
Created by admin on Fri Dec 15 16:48:30 GMT 2023 , Edited by admin on Fri Dec 15 16:48:30 GMT 2023
PRIMARY
PUBCHEM
12702413
Created by admin on Fri Dec 15 16:48:30 GMT 2023 , Edited by admin on Fri Dec 15 16:48:30 GMT 2023
PRIMARY
FDA UNII
Y15C47H14D
Created by admin on Fri Dec 15 16:48:30 GMT 2023 , Edited by admin on Fri Dec 15 16:48:30 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER