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Home Other Building Blocks 2,4,4'-Trihydroxybenzophenone

2,4,4'-Trihydroxybenzophenone

CAS No.:
1470-79-7
Catalog Number:
AG001EI6
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
>98.0%(T)(HPLC)
1 week
United States
$394
- +
Product Description
Catalog Number:
AG001EI6
Chemical Name:
2,4,4'-Trihydroxybenzophenone
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties