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88610-18-8 | 1,3-Propanediol, 1,3-diphenyl-2-(phenylmethylene)-
CAS No: 88610-18-8 Catalog No: AG004A61 MDL No:
Product Description
Catalog Number:
AG004A61
Chemical Name:
1,3-Propanediol, 1,3-diphenyl-2-(phenylmethylene)-
CAS Number:
88610-18-8
Molecular Formula:
C22H20O2
Molecular Weight:
316.3930
IUPAC Name:
2-benzylidene-1,3-diphenylpropane-1,3-diol
InChI:
InChI=1S/C22H20O2/c23-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16,21-24H
InChI Key:
UZZYNBZRVDETIU-UHFFFAOYSA-N
SMILES:
OC(C(=Cc1ccccc1)C(c1ccccc1)O)c1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.146g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.4g/mol
Monoisotopic Mass:
316.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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