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15764-52-0 | Phenol, 2,2'-oxybis-
CAS No: 15764-52-0 Catalog No: AG001PLB MDL No:MFCD00142736
Product Description
Catalog Number:
AG001PLB
Chemical Name:
Phenol, 2,2'-oxybis-
CAS Number:
15764-52-0
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
MDL Number:
MFCD00142736
IUPAC Name:
2-(2-hydroxyphenoxy)phenol
InChI:
InChI=1S/C12H10O3/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,13-14H
InChI Key:
VXHYVVAUHMGCEX-UHFFFAOYSA-N
SMILES:
Oc1ccccc1Oc1ccccc1O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Enantiomer discrimination illustrated by the high resolution crystal structures of type 4 phosphodiesterase. | Journal of medicinal chemistry 20060323 |
| Role of inhibitor aliphatic chain in the thermodynamics of inhibitor binding to Escherichia coli enoyl-ACP reductase and the Phe203Leu mutant: a proposed mechanism for drug resistance. | Biochemistry 20041026 |
| Inhibition of the bacterial enoyl reductase FabI by triclosan: a structure-reactivity analysis of FabI inhibition by triclosan analogues. | Journal of medicinal chemistry 20040129 |
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