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89434-73-1 | Benzoic acid, 2-hydroxy-, 4-benzoylphenyl ester
CAS No: 89434-73-1 Catalog No: AG00441R MDL No:
Product Description
Catalog Number:
AG00441R
Chemical Name:
Benzoic acid, 2-hydroxy-, 4-benzoylphenyl ester
CAS Number:
89434-73-1
Molecular Formula:
C20H14O4
Molecular Weight:
318.3228
IUPAC Name:
(4-benzoylphenyl) 2-hydroxybenzoate
InChI:
InChI=1S/C20H14O4/c21-18-9-5-4-8-17(18)20(23)24-16-12-10-15(11-13-16)19(22)14-6-2-1-3-7-14/h1-13,21H
InChI Key:
DLLWMHSSGQYZPE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)Oc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.328g/mol
Monoisotopic Mass:
318.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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