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16900-65-5 | Propanedioic acid, 2,2-bis(3-phenyl-2-propyn-1-yl)-, 1,3-diethyl ester
CAS No: 16900-65-5 Catalog No: AG001YFK MDL No:
Product Description
Catalog Number:
AG001YFK
Chemical Name:
Propanedioic acid, 2,2-bis(3-phenyl-2-propyn-1-yl)-, 1,3-diethyl ester
CAS Number:
16900-65-5
Molecular Formula:
C25H24O4
Molecular Weight:
388.4557
IUPAC Name:
diethyl 2,2-bis(3-phenylprop-2-ynyl)propanedioate
InChI:
InChI=1S/C25H24O4/c1-3-28-23(26)25(24(27)29-4-2,19-11-17-21-13-7-5-8-14-21)20-12-18-22-15-9-6-10-16-22/h5-10,13-16H,3-4,19-20H2,1-2H3
InChI Key:
KYXAGNPPSKKYOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(CC#Cc1ccccc1)CC#Cc1ccccc1
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.167g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.463g/mol
Monoisotopic Mass:
388.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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