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Home > Nitro Compounds > 157220-29-6
157220-29-6 | Phosphonic acid, P-(3-nitropropyl)-
CAS No: 157220-29-6 Catalog No: AG001PAV MDL No:
Product Description
Catalog Number:
AG001PAV
Chemical Name:
Phosphonic acid, P-(3-nitropropyl)-
CAS Number:
157220-29-6
Molecular Formula:
C3H8NO5P
Molecular Weight:
169.0731
IUPAC Name:
3-nitropropylphosphonic acid
InChI:
InChI=1S/C3H8NO5P/c5-4(6)2-1-3-10(7,8)9/h1-3H2,(H2,7,8,9)
InChI Key:
CAGYGMBOAACZPZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCCP(=O)(O)O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.073g/mol
Monoisotopic Mass:
169.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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