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14442-55-8 | Carbamic acid, N-butyl-N-nitro-, methyl ester
CAS No: 14442-55-8 Catalog No: AG001JHV MDL No:
Product Description
Catalog Number:
AG001JHV
Chemical Name:
Carbamic acid, N-butyl-N-nitro-, methyl ester
CAS Number:
14442-55-8
Molecular Formula:
C6H12N2O4
Molecular Weight:
176.1705
IUPAC Name:
methyl N-butyl-N-nitrocarbamate
InChI:
InChI=1S/C6H12N2O4/c1-3-4-5-7(8(10)11)6(9)12-2/h3-5H2,1-2H3
InChI Key:
UWMXFFWKVHTEEE-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)OC)[N+](=O)[O-]
NSC Number:
147447
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.172g/mol
Monoisotopic Mass:
176.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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