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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

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
  • Download
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
SALT/SOLVATE -> PARENT