200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 85401-80-5
85401-80-5 | Benzoic acid, 2-hydroxy-, 4-(phenylmethyl)phenyl ester
CAS No: 85401-80-5 Catalog No: AG004OFN MDL No:
Product Description
Catalog Number:
AG004OFN
Chemical Name:
Benzoic acid, 2-hydroxy-, 4-(phenylmethyl)phenyl ester
CAS Number:
85401-80-5
Molecular Formula:
C20H16O3
Molecular Weight:
304.3392
IUPAC Name:
(4-benzylphenyl) 2-hydroxybenzoate
InChI:
InChI=1S/C20H16O3/c21-19-9-5-4-8-18(19)20(22)23-17-12-10-16(11-13-17)14-15-6-2-1-3-7-15/h1-13,21H,14H2
InChI Key:
XSGIPGFJYOYADV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)Oc1ccc(cc1)Cc1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.345g/mol
Monoisotopic Mass:
304.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.