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116139-39-0 | Phosphonic acid, [(4-oxo-2-azetidinyl)methyl]-, diethyl ester (9CI)
CAS No: 116139-39-0 Catalog No: AG000BQE MDL No:
Product Description
Catalog Number:
AG000BQE
Chemical Name:
Phosphonic acid, [(4-oxo-2-azetidinyl)methyl]-, diethyl ester (9CI)
CAS Number:
116139-39-0
Molecular Formula:
C8H16NO4P
Molecular Weight:
221.1907
IUPAC Name:
4-(diethoxyphosphorylmethyl)azetidin-2-one
InChI:
InChI=1S/C8H16NO4P/c1-3-12-14(11,13-4-2)6-7-5-8(10)9-7/h7H,3-6H2,1-2H3,(H,9,10)
InChI Key:
FOOMRSINPCLKEX-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC1CC(=O)N1)OCC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.193g/mol
Monoisotopic Mass:
221.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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