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Home > Nitro Compounds > 14442-53-6
14442-53-6 | Carbamic acid, N-nitro-, methyl ester
CAS No: 14442-53-6 Catalog No: AG001JHX MDL No:
Product Description
Catalog Number:
AG001JHX
Chemical Name:
Carbamic acid, N-nitro-, methyl ester
CAS Number:
14442-53-6
Molecular Formula:
C2H4N2O4
Molecular Weight:
120.0642
IUPAC Name:
methyl N-nitrocarbamate
InChI:
InChI=1S/C2H4N2O4/c1-8-2(5)3-4(6)7/h1H3,(H,3,5)
InChI Key:
WRPWDYQMJKOHSD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)NC(=O)OC
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.017g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.064g/mol
Monoisotopic Mass:
120.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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