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Home > Nitro Compounds > 79958-07-9
79958-07-9 | Carbamic acid,methylnitroso-, 1,2-ethanediyl ester (9CI)
CAS No: 79958-07-9 Catalog No: AG005EXA MDL No:
Product Description
Catalog Number:
AG005EXA
Chemical Name:
Carbamic acid,methylnitroso-, 1,2-ethanediyl ester (9CI)
CAS Number:
79958-07-9
Molecular Formula:
C6H10N4O6
Molecular Weight:
234.1668
IUPAC Name:
2-[methyl(nitroso)carbamoyl]oxyethyl N-methyl-N-nitrosocarbamate
InChI:
InChI=1S/C6H10N4O6/c1-9(7-13)5(11)15-3-4-16-6(12)10(2)8-14/h3-4H2,1-2H3
InChI Key:
BTEUKFGQOSKACK-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)OCCOC(=O)N(N=O)C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.168g/mol
Monoisotopic Mass:
234.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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