CAS 1470-79-7 | Methanone, (2,4-dihydroxyphenyl)(4-hydroxyphenyl)- | CAS Number 1470-79-7

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1470-79-7 | Methanone, (2,4-dihydroxyphenyl)(4-hydroxyphenyl)-

CAS No: 1470-79-7 Catalog No: AG001EI6 MDL No:MFCD00002356

Product Description

Catalog Number:

AG001EI6

Chemical Name:

Methanone, (2,4-dihydroxyphenyl)(4-hydroxyphenyl)-

CAS Number:

1470-79-7

Molecular Formula:

C13H10O4

Molecular Weight:

230.2161

MDL Number:

MFCD00002356

IUPAC Name:

(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone

InChI:

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

InChI Key:

OKJFKPFBSPZTAH-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)C(=O)c1ccc(cc1O)O

EC Number:

216-004-2

UNII:

QP9121IG2S

NSC Number:

76052

Properties

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.219g/mol

Monoisotopic Mass:

230.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Comparison of the reporter gene assay for ER-alpha antagonists with the immature rat uterotrophic assay of 10 chemicals.	Toxicology letters 20030430
Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals.	Toxicology 20030201