4-Oxo-4-pyren-1-yl-butyric acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H14O3
Molecular Weight	302.3234
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Oxo-4-pyren-1-yl-butyric acid

Structure Search

SMILES

OC(=O)CCC(=O)C1=CC=C2C=CC3=C4C(C=CC1=C24)=CC=C3

InChI

InChIKey=AAJQTWWVKREOQP-UHFFFAOYSA-N

InChI=1S/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C20H14O3
Molecular Weight	302.3234
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 13:13:28 GMT 2023` Edited by `admin` on `Sat Dec 16 13:13:28 GMT 2023`
Record UNII	VFV295N6ES
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Oxo-4-pyren-1-yl-butyric acid

Systematic Name

English

γ-Oxo-1-pyrenebutyric acid

Systematic Name

English

β-(1-Pyrenoyl)propionic acid

Systematic Name

English

4-oxo-4-(pyren-1-yl)butanoic acid

Systematic Name

English

γ-Oxo-1-pyrenebutanoic acid

Systematic Name

English

GAMMA-OXOPYRENE-1-BUTYRIC ACID

Systematic Name

English

NSC-407628

Code

English

Code System Code Type Description

PUBCHEM

82011

Created by admin on Sat Dec 16 13:13:28 GMT 2023 , Edited by admin on Sat Dec 16 13:13:28 GMT 2023

PRIMARY

ECHA (EC/EINECS)

231-354-6

Created by admin on Sat Dec 16 13:13:28 GMT 2023 , Edited by admin on Sat Dec 16 13:13:28 GMT 2023

PRIMARY

EPA CompTox

DTXSID20225950

Created by admin on Sat Dec 16 13:13:28 GMT 2023 , Edited by admin on Sat Dec 16 13:13:28 GMT 2023

PRIMARY

CAS

7499-60-7

Created by admin on Sat Dec 16 13:13:28 GMT 2023 , Edited by admin on Sat Dec 16 13:13:28 GMT 2023

PRIMARY

FDA UNII

VFV295N6ES

Created by admin on Sat Dec 16 13:13:28 GMT 2023 , Edited by admin on Sat Dec 16 13:13:28 GMT 2023

PRIMARY

NSC

407628

Created by admin on Sat Dec 16 13:13:28 GMT 2023 , Edited by admin on Sat Dec 16 13:13:28 GMT 2023

PRIMARY

Related Record Type Details


					DE3QB35L8W

sodium 4-oxo-4-(pyren-1-yl)butanoate

SALT/SOLVATE -> PARENT

Amount: