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850010-51-4 | Propanedioic acid, (3-hydroxy-1,3-diphenylpropyl)-, diethyl ester
CAS No: 850010-51-4 Catalog No: AG0050XR MDL No:
Product Description
Catalog Number:
AG0050XR
Chemical Name:
Propanedioic acid, (3-hydroxy-1,3-diphenylpropyl)-, diethyl ester
CAS Number:
850010-51-4
Molecular Formula:
C22H26O5
Molecular Weight:
370.4388
IUPAC Name:
diethyl 2-(3-hydroxy-1,3-diphenylpropyl)propanedioate
InChI:
InChI=1S/C22H26O5/c1-3-26-21(24)20(22(25)27-4-2)18(16-11-7-5-8-12-16)15-19(23)17-13-9-6-10-14-17/h5-14,18-20,23H,3-4,15H2,1-2H3
InChI Key:
GZCCCADADMNAKL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1ccccc1)CC(c1ccccc1)O)C(=O)OCC
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.445g/mol
Monoisotopic Mass:
370.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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