Home Other Building Blocks Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester

Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester

CAS No.:
29668-61-9
Catalog Number:
AG002Z18
Molecular Formula:
C7H14NO3P
Molecular Weight:
191.1647
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Product Description
Catalog Number:
AG002Z18
Chemical Name:
Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester
CAS Number:
29668-61-9
Molecular Formula:
C7H14NO3P
Molecular Weight:
191.1647
MDL Number:
MFCD01457302
IUPAC Name:
2-diethoxyphosphorylpropanenitrile
InChI:
InChI=1S/C7H14NO3P/c1-4-10-12(9,11-5-2)7(3)6-8/h7H,4-5H2,1-3H3
InChI Key:
UMLWEPGSWQNXQX-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C#N)C)OCC
NSC Number:
135193
Properties
Complexity:
210  
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:
5  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties