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114431-64-0 | Butanoic acid, 3-(methoxyphenylphosphinyl)-, methyl ester
CAS No: 114431-64-0 Catalog No: AG000BC1 MDL No:
Product Description
Catalog Number:
AG000BC1
Chemical Name:
Butanoic acid, 3-(methoxyphenylphosphinyl)-, methyl ester
CAS Number:
114431-64-0
Molecular Formula:
C12H17O4P
Molecular Weight:
256.2347
IUPAC Name:
methyl 3-[methoxy(phenyl)phosphoryl]butanoate
InChI:
InChI=1S/C12H17O4P/c1-10(9-12(13)15-2)17(14,16-3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChI Key:
ISJISEPSJFDVEO-UHFFFAOYSA-N
SMILES:
COP(=O)(c1ccccc1)C(CC(=O)OC)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.238g/mol
Monoisotopic Mass:
256.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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