200,000+ products from a single source!
sales@angenechem.com
89367-68-0 | 1,4-Benzenedicarboxylic acid, 4-carboxyphenyl phenylmethyl ester
CAS No: 89367-68-0 Catalog No: AG003XL0 MDL No:
Product Description
Catalog Number:
AG003XL0
Chemical Name:
1,4-Benzenedicarboxylic acid, 4-carboxyphenyl phenylmethyl ester
CAS Number:
89367-68-0
Molecular Formula:
C22H16O6
Molecular Weight:
376.3588
IUPAC Name:
4-(4-phenylmethoxycarbonylbenzoyl)oxybenzoic acid
InChI:
InChI=1S/C22H16O6/c23-20(24)16-10-12-19(13-11-16)28-22(26)18-8-6-17(7-9-18)21(25)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,23,24)
InChI Key:
AQRNHHRCGAKGOJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)OCc1ccccc1)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.095g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.364g/mol
Monoisotopic Mass:
376.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.