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13330-42-2 | 1,2-Benzenedicarboxylic acid, 1,2-bis(2-phenylethyl) ester
CAS No: 13330-42-2 Catalog No: AG0014KY MDL No:
Product Description
Catalog Number:
AG0014KY
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-bis(2-phenylethyl) ester
CAS Number:
13330-42-2
Molecular Formula:
C24H22O4
Molecular Weight:
374.4291
IUPAC Name:
bis(2-phenylethyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C24H22O4/c25-23(27-17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)24(26)28-18-16-20-11-5-2-6-12-20/h1-14H,15-18H2
InChI Key:
OKZWQVKHTJIFLP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)OCCc1ccccc1)OCCc1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.152g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.436g/mol
Monoisotopic Mass:
374.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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