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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O2
Molecular Weight 220.3074
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYLPROPYL VALERATE

SMILES

CCCCC(=O)OCCCC1=CC=CC=C1

InChI

InChIKey=OKFJJLRWQHMYCM-UHFFFAOYSA-N
InChI=1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H20O2
Molecular Weight 220.3074
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 Fri Dec 15 18:14:27 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:27 GMT 2023
Record UNII
8528917KSG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PHENYLPROPYL VALERATE
Systematic Name English
PENTANOIC ACID, 3-PHENYLPROPYL ESTER
Common Name English
1-PROPANOL, 3-PHENYL-, VALERATE
Systematic Name English
NSC-21873
Code English
VALERIC ACID, 3-PHENYLPROPYL ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
226-690-5
Created by admin on Fri Dec 15 18:14:27 GMT 2023 , Edited by admin on Fri Dec 15 18:14:27 GMT 2023
PRIMARY
PUBCHEM
79546
Created by admin on Fri Dec 15 18:14:27 GMT 2023 , Edited by admin on Fri Dec 15 18:14:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID60202927
Created by admin on Fri Dec 15 18:14:27 GMT 2023 , Edited by admin on Fri Dec 15 18:14:27 GMT 2023
PRIMARY
CAS
5451-88-7
Created by admin on Fri Dec 15 18:14:27 GMT 2023 , Edited by admin on Fri Dec 15 18:14:27 GMT 2023
PRIMARY
FDA UNII
8528917KSG
Created by admin on Fri Dec 15 18:14:27 GMT 2023 , Edited by admin on Fri Dec 15 18:14:27 GMT 2023
PRIMARY
NSC
21873
Created by admin on Fri Dec 15 18:14:27 GMT 2023 , Edited by admin on Fri Dec 15 18:14:27 GMT 2023
PRIMARY