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10123-62-3 | Phosphonic acid, P-(2-cyanoethyl)-, diethyl ester
CAS No: 10123-62-3 Catalog No: AG00040S MDL No:MFCD00013825
Product Description
Catalog Number:
AG00040S
Chemical Name:
Phosphonic acid, P-(2-cyanoethyl)-, diethyl ester
CAS Number:
10123-62-3
Molecular Formula:
C7H14NO3P
Molecular Weight:
191.1647
MDL Number:
MFCD00013825
IUPAC Name:
3-diethoxyphosphorylpropanenitrile
InChI:
InChI=1S/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-5,7H2,1-2H3
InChI Key:
LDOZIDLMPNCNDI-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)CCC#N
EC Number:
233-327-4
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.167g/mol
Monoisotopic Mass:
191.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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