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88575-40-0 | Acetic acid, hydroxy-, 4-benzoyl-3-hydroxyphenyl ester
CAS No: 88575-40-0 Catalog No: AG004BE2 MDL No:
Product Description
Catalog Number:
AG004BE2
Chemical Name:
Acetic acid, hydroxy-, 4-benzoyl-3-hydroxyphenyl ester
CAS Number:
88575-40-0
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
(4-benzoyl-3-hydroxyphenyl) 2-hydroxyacetate
InChI:
InChI=1S/C15H12O5/c16-9-14(18)20-11-6-7-12(13(17)8-11)15(19)10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key:
FUPCEYCFZYJWFA-UHFFFAOYSA-N
SMILES:
OCC(=O)Oc1ccc(c(c1)O)C(=O)c1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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