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20198-64-5 | 1,2-Benzenedicarboxylic acid, 1,2-bis(3-phenylpropyl) ester
CAS No: 20198-64-5 Catalog No: AG0027YH MDL No:
Product Description
Catalog Number:
AG0027YH
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-bis(3-phenylpropyl) ester
CAS Number:
20198-64-5
Molecular Formula:
C26H26O4
Molecular Weight:
402.4822
IUPAC Name:
bis(3-phenylpropyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C26H26O4/c27-25(29-19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)26(28)30-20-10-16-22-13-5-2-6-14-22/h1-8,11-14,17-18H,9-10,15-16,19-20H2
InChI Key:
YCPGFFUNLDSSRX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)OCCCc1ccccc1)OCCCc1ccccc1
EC Number:
243-583-9
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.183g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.49g/mol
Monoisotopic Mass:
402.183g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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