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Home > Nitro Compounds > 58139-33-6
58139-33-6 | Methylnitrosocarbamic acid 3,4-xylyl ester
CAS No: 58139-33-6 Catalog No: AG00F1E5 MDL No:
Product Description
Catalog Number:
AG00F1E5
Chemical Name:
Methylnitrosocarbamic acid 3,4-xylyl ester
CAS Number:
58139-33-6
IUPAC Name:
(3,4-dimethylphenyl) N-methyl-N-nitrosocarbamate
InChI:
InChI=1S/C10H12N2O3/c1-7-4-5-9(6-8(7)2)15-10(13)12(3)11-14/h4-6H,1-3H3
InChI Key:
HHNVRZPRZQZGFZ-UHFFFAOYSA-N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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