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116021-77-3 | Propanedioic acid, 1,3-bis(diphenylmethyl) ester
CAS No: 116021-77-3 Catalog No: AG000BES MDL No:
Product Description
Catalog Number:
AG000BES
Chemical Name:
Propanedioic acid, 1,3-bis(diphenylmethyl) ester
CAS Number:
116021-77-3
Molecular Formula:
C29H24O4
Molecular Weight:
436.4985
IUPAC Name:
dibenzhydryl propanedioate
InChI:
InChI=1S/C29H24O4/c30-26(32-28(22-13-5-1-6-14-22)23-15-7-2-8-16-23)21-27(31)33-29(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,28-29H,21H2
InChI Key:
XUUOFWRXKILJBB-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.167g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.507g/mol
Monoisotopic Mass:
436.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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