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114627-39-3 | Propanoic acid, 2-(diphenylphosphino)-, ethyl ester
CAS No: 114627-39-3 Catalog No: AG000EV1 MDL No:
Product Description
Catalog Number:
AG000EV1
Chemical Name:
Propanoic acid, 2-(diphenylphosphino)-, ethyl ester
CAS Number:
114627-39-3
Molecular Formula:
C17H19O2P
Molecular Weight:
286.3053
IUPAC Name:
ethyl 2-diphenylphosphanylpropanoate
InChI:
InChI=1S/C17H19O2P/c1-3-19-17(18)14(2)20(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChI Key:
KJYGIYXOYHPTTB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(P(c1ccccc1)c1ccccc1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.311g/mol
Monoisotopic Mass:
286.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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