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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10O4
Molecular Weight 230.2161
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,4'-TRIHYDROXYBENZOPHENONE

SMILES

OC1=CC=C(C=C1)C(=O)C2=CC=C(O)C=C2O

InChI

InChIKey=OKJFKPFBSPZTAH-UHFFFAOYSA-N
InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H

HIDE SMILES / InChI

Molecular Formula C13H10O4
Molecular Weight 230.2161
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Comparison of the reporter gene assay for ER-alpha antagonists with the immature rat uterotrophic assay of 10 chemicals.
2003 Apr 30
Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals.
2003 Feb 1
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:50:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:39 GMT 2023
Record UNII
QP9121IG2S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,4'-TRIHYDROXYBENZOPHENONE
Systematic Name English
NSC-76052
Code English
METHANONE, (2,4-DIHYDROXYPHENYL)(4-HYDROXYPHENYL)-
Systematic Name English
2,4-DIHYDROXYPHENYL P-HYDROXYBENZYL KETONE
Systematic Name English
BENZOPHENONE, 2,4,4'-TRIHYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
QP9121IG2S
Created by admin on Sat Dec 16 08:50:39 GMT 2023 , Edited by admin on Sat Dec 16 08:50:39 GMT 2023
PRIMARY
CAS
1470-79-7
Created by admin on Sat Dec 16 08:50:39 GMT 2023 , Edited by admin on Sat Dec 16 08:50:39 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-004-2
Created by admin on Sat Dec 16 08:50:39 GMT 2023 , Edited by admin on Sat Dec 16 08:50:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID8044836
Created by admin on Sat Dec 16 08:50:39 GMT 2023 , Edited by admin on Sat Dec 16 08:50:39 GMT 2023
PRIMARY
NSC
76052
Created by admin on Sat Dec 16 08:50:39 GMT 2023 , Edited by admin on Sat Dec 16 08:50:39 GMT 2023
PRIMARY
PUBCHEM
73852
Created by admin on Sat Dec 16 08:50:39 GMT 2023 , Edited by admin on Sat Dec 16 08:50:39 GMT 2023
PRIMARY