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157230-67-6

157230-67-6 | Phosphonic acid, P-(3,4-dihydro-2-methyl-1-oxido-2H-pyrrol-2-yl)-, diethyl ester

CAS No: 157230-67-6 Catalog No: AG001PAN MDL No:

Product Description

Catalog Number:
AG001PAN
Chemical Name:
Phosphonic acid, P-(3,4-dihydro-2-methyl-1-oxido-2H-pyrrol-2-yl)-, diethyl ester
CAS Number:
157230-67-6
Molecular Formula:
C9H18NO4P
Molecular Weight:
235.2173
IUPAC Name:
2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium
InChI:
InChI=1S/C9H18NO4P/c1-4-13-15(12,14-5-2)9(3)7-6-8-10(9)11/h8H,4-7H2,1-3H3
InChI Key:
OKCDBZSDRSXFIB-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1(C)CCC=[N+]1[O-])OCC

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.097g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.22g/mol
Monoisotopic Mass:
235.097g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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