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Home > Nitro Compounds > 163032-70-0
163032-70-0 | 3-Hexenamide, 2-(hydroxyimino)-6-methoxy-4-methyl-5-nitro-, (3E)- (9CI)
CAS No: 163032-70-0 Catalog No: AG001TMD MDL No:
Product Description
Catalog Number:
AG001TMD
Chemical Name:
3-Hexenamide, 2-(hydroxyimino)-6-methoxy-4-methyl-5-nitro-, (3E)- (9CI)
CAS Number:
163032-70-0
Molecular Formula:
C8H13N3O5
Molecular Weight:
231.2059
IUPAC Name:
(E,2Z)-2-hydroxyimino-6-methoxy-4-methyl-5-nitrohex-3-enamide
InChI:
InChI=1S/C8H13N3O5/c1-5(3-6(10-13)8(9)12)7(4-16-2)11(14)15/h3,7,13H,4H2,1-2H3,(H2,9,12)/b5-3+,10-6-
InChI Key:
HCUOEKSZWPGJIM-IYNMRSRQSA-N
SMILES:
[O-][N+](=O)C(/C(=C/C(=NO)C(=O)N)/C)COC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
231.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.208g/mol
Monoisotopic Mass:
231.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
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|---|---|
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