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116139-41-4 | Butanoic acid, 3-amino-4-(dimethoxyphosphinyl)-, methyl ester
CAS No: 116139-41-4 Catalog No: AG000BQD MDL No:
Product Description
Catalog Number:
AG000BQD
Chemical Name:
Butanoic acid, 3-amino-4-(dimethoxyphosphinyl)-, methyl ester
CAS Number:
116139-41-4
Molecular Formula:
C7H16NO5P
Molecular Weight:
225.1794
IUPAC Name:
methyl 3-amino-4-dimethoxyphosphorylbutanoate
InChI:
InChI=1S/C7H16NO5P/c1-11-7(9)4-6(8)5-14(10,12-2)13-3/h6H,4-5,8H2,1-3H3
InChI Key:
RUKVFWHGSDUSPI-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CP(=O)(OC)OC)N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.181g/mol
Monoisotopic Mass:
225.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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