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113402-04-3 | 5-Decynoic acid, 8-(diethoxyphosphinyl)-9-oxo-, methyl ester
CAS No: 113402-04-3 Catalog No: AG0008GT MDL No:
Product Description
Catalog Number:
AG0008GT
Chemical Name:
5-Decynoic acid, 8-(diethoxyphosphinyl)-9-oxo-, methyl ester
CAS Number:
113402-04-3
Molecular Formula:
C15H25O6P
Molecular Weight:
332.3292
IUPAC Name:
methyl 8-diethoxyphosphoryl-9-oxodec-5-ynoate
InChI:
InChI=1S/C15H25O6P/c1-5-20-22(18,21-6-2)14(13(3)16)11-9-7-8-10-12-15(17)19-4/h14H,5-6,8,10-12H2,1-4H3
InChI Key:
NDIOBPUKZSMROR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C(=O)C)CC#CCCCC(=O)OC)OCC
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.139g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.333g/mol
Monoisotopic Mass:
332.139g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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