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190008-36-7 | Phosphonic acid, [3-oxo-3-(4-propylphenyl)propyl]-, diethyl ester (9CI)
CAS No: 190008-36-7 Catalog No: AG002E8D MDL No:
Product Description
Catalog Number:
AG002E8D
Chemical Name:
Phosphonic acid, [3-oxo-3-(4-propylphenyl)propyl]-, diethyl ester (9CI)
CAS Number:
190008-36-7
Molecular Formula:
C16H25O4P
Molecular Weight:
312.3411
IUPAC Name:
3-diethoxyphosphoryl-1-(4-propylphenyl)propan-1-one
InChI:
InChI=1S/C16H25O4P/c1-4-7-14-8-10-15(11-9-14)16(17)12-13-21(18,19-5-2)20-6-3/h8-11H,4-7,12-13H2,1-3H3
InChI Key:
PVLLSHLBVPRUKO-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C(=O)CCP(=O)(OCC)OCC
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.346g/mol
Monoisotopic Mass:
312.149g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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