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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PHENOXYETHYL PENTANOATE

SMILES

CCCCC(=O)OCCOC1=CC=CC=C1

InChI

InChIKey=VTDVFBXXQCGSIB-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-2-3-9-13(14)16-11-10-15-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
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 12:41:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:41:58 GMT 2023
Record UNII
7YW24WC8TG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PHENOXYETHYL PENTANOATE
Systematic Name English
PENTANOIC ACID, 2-PHENOXYETHYL ESTER
Common Name English
VALERIC ACID, 2-PHENOXYETHYL ESTER
Systematic Name English
NSC-21876
Code English
ETHANOL, 2-PHENOXY-, VALERATE
Systematic Name English
Code System Code Type Description
CAS
23495-13-8
Created by admin on Sat Dec 16 12:41:58 GMT 2023 , Edited by admin on Sat Dec 16 12:41:58 GMT 2023
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NSC
21876
Created by admin on Sat Dec 16 12:41:58 GMT 2023 , Edited by admin on Sat Dec 16 12:41:58 GMT 2023
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EPA CompTox
DTXSID0066901
Created by admin on Sat Dec 16 12:41:58 GMT 2023 , Edited by admin on Sat Dec 16 12:41:58 GMT 2023
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FDA UNII
7YW24WC8TG
Created by admin on Sat Dec 16 12:41:58 GMT 2023 , Edited by admin on Sat Dec 16 12:41:58 GMT 2023
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PUBCHEM
90122
Created by admin on Sat Dec 16 12:41:58 GMT 2023 , Edited by admin on Sat Dec 16 12:41:58 GMT 2023
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