Home Other Building Blocks Diisopropyl (cyanomethyl)phosphonate

Diisopropyl (cyanomethyl)phosphonate

CAS No.:
21658-95-7
Catalog Number:
AG003PJS
Molecular Formula:
C8H16NO3P
Molecular Weight:
205.1913
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Product Description
Catalog Number:
AG003PJS
Chemical Name:
Diisopropyl (cyanomethyl)phosphonate
CAS Number:
21658-95-7
Molecular Formula:
C8H16NO3P
Molecular Weight:
205.1913
MDL Number:
MFCD00009812
IUPAC Name:
2-di(propan-2-yloxy)phosphorylacetonitrile
InChI:
InChI=1S/C8H16NO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,6H2,1-4H3
InChI Key:
MQDIIJHQSUNBKA-UHFFFAOYSA-N
SMILES:
CC(OP(=O)(CC#N)OC(C)C)C
EC Number:
244-511-9
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.194g/mol
Monoisotopic Mass:
205.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties