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117278-59-8 | Hexanedioic acid, 1,6-bis[(2-chlorophenyl)methyl] ester
CAS No: 117278-59-8 Catalog No: AG000E0W MDL No:
Product Description
Catalog Number:
AG000E0W
Chemical Name:
Hexanedioic acid, 1,6-bis[(2-chlorophenyl)methyl] ester
CAS Number:
117278-59-8
Molecular Formula:
C20H20Cl2O4
Molecular Weight:
395.2764
IUPAC Name:
bis[(2-chlorophenyl)methyl] hexanedioate
InChI:
InChI=1S/C20H20Cl2O4/c21-17-9-3-1-7-15(17)13-25-19(23)11-5-6-12-20(24)26-14-16-8-2-4-10-18(16)22/h1-4,7-10H,5-6,11-14H2
InChI Key:
MEYWNSOOPQQVNP-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1Cl)CCCCC(=O)OCc1ccccc1Cl
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.074g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.276g/mol
Monoisotopic Mass:
394.074g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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