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113592-12-4 | Carbamic acid, N-[1-(methoxyphosphinyl)ethyl]-, phenylmethyl ester
CAS No: 113592-12-4 Catalog No: AG00092E MDL No:
Product Description
Catalog Number:
AG00092E
Chemical Name:
Carbamic acid, N-[1-(methoxyphosphinyl)ethyl]-, phenylmethyl ester
CAS Number:
113592-12-4
Molecular Formula:
C11H16NO4P
Molecular Weight:
257.2228
IUPAC Name:
methoxy-oxo-[1-(phenylmethoxycarbonylamino)ethyl]phosphanium
InChI:
InChI=1S/C11H14NO4P/c1-9(17(14)15-2)12-11(13)16-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/p+1
InChI Key:
YPIHXKDLJZDKKB-UHFFFAOYSA-O
SMILES:
COP(=O)C(NC(=O)OCc1ccccc1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.218g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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