3-Phenyl-3-propylglutaric acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18O4
Molecular Weight	250.2903
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Phenyl-3-propylglutaric acid

Structure Search

SMILES

CCCC(CC(O)=O)(CC(O)=O)C1=CC=CC=C1

InChI

InChIKey=VVYCAUXALDXXBS-UHFFFAOYSA-N

InChI=1S/C14H18O4/c1-2-8-14(9-12(15)16,10-13(17)18)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16)(H,17,18)

HIDE SMILES / InChI

Molecular Formula	C14H18O4
Molecular Weight	250.2903
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 `Tue Apr 01 18:46:14 GMT 2025` Edited by `admin` on `Tue Apr 01 18:46:14 GMT 2025`
Record UNII	X5HV2VC3MC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-90794

Preferred Name

English

3-Phenyl-3-propylglutaric acid

Systematic Name

English

Pentanedioic acid, 3-phenyl-3-propyl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20194430

Created by admin on Tue Apr 01 18:46:14 GMT 2025 , Edited by admin on Tue Apr 01 18:46:14 GMT 2025

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CAS

4160-94-5

Created by admin on Tue Apr 01 18:46:14 GMT 2025 , Edited by admin on Tue Apr 01 18:46:14 GMT 2025

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FDA UNII

X5HV2VC3MC

Created by admin on Tue Apr 01 18:46:14 GMT 2025 , Edited by admin on Tue Apr 01 18:46:14 GMT 2025

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NSC

90794

Created by admin on Tue Apr 01 18:46:14 GMT 2025 , Edited by admin on Tue Apr 01 18:46:14 GMT 2025

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PUBCHEM

77816

Created by admin on Tue Apr 01 18:46:14 GMT 2025 , Edited by admin on Tue Apr 01 18:46:14 GMT 2025

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ECHA (EC/EINECS)

224-001-2

Created by admin on Tue Apr 01 18:46:14 GMT 2025 , Edited by admin on Tue Apr 01 18:46:14 GMT 2025

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