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(cyanomethyl)phosphonic acid

CAS No.:
35236-60-3
Catalog Number:
AG01EJS5
Molecular Formula:
C2H4NO3P
Molecular Weight:
121.0318
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Product Description
Catalog Number:
AG01EJS5
Chemical Name:
(cyanomethyl)phosphonic acid
CAS Number:
35236-60-3
Molecular Formula:
C2H4NO3P
Molecular Weight:
121.0318
MDL Number:
MFCD31665107
IUPAC Name:
cyanomethylphosphonic acid
InChI:
InChI=1S/C2H4NO3P/c3-1-2-7(4,5)6/h2H2,(H2,4,5,6)
InChI Key:
SAFQZYRQIXIKDC-UHFFFAOYSA-N
SMILES:
N#CCP(=O)(O)O
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.993g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
121.032g/mol
Monoisotopic Mass:
120.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties