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Home > Nitro Compounds > 879369-38-7
879369-38-7 | Propanedial, nitro-, monohydrate
CAS No: 879369-38-7 Catalog No: AG004EYY MDL No:
Product Description
Catalog Number:
AG004EYY
Chemical Name:
Propanedial, nitro-, monohydrate
CAS Number:
879369-38-7
Molecular Formula:
C3H5NO5
Molecular Weight:
135.0755
IUPAC Name:
2-nitropropanedial;hydrate
InChI:
InChI=1S/C3H3NO4.H2O/c5-1-3(2-6)4(7)8;/h1-3H;1H2
InChI Key:
AXKLGWDKHLRWOY-UHFFFAOYSA-N
SMILES:
O=CC([N+](=O)[O-])C=O.O
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.075g/mol
Monoisotopic Mass:
135.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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