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Home > Nitro Compounds > 339096-75-2
339096-75-2 | (E)-methyl[3-(4-nitrophenyl)-3-oxopropylidene]oxidoazanium
CAS No: 339096-75-2 Catalog No: AG00IYWL MDL No:MFCD00173335
Product Description
Catalog Number:
AG00IYWL
Chemical Name:
(E)-methyl[3-(4-nitrophenyl)-3-oxopropylidene]oxidoazanium
CAS Number:
339096-75-2
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD00173335
IUPAC Name:
N-methyl-3-(4-nitrophenyl)-3-oxopropan-1-imine oxide
InChI:
InChI=1S/C10H10N2O4/c1-11(14)7-6-10(13)8-2-4-9(5-3-8)12(15)16/h2-5,7H,6H2,1H3
InChI Key:
QUBIWEXDYPAGHX-UHFFFAOYSA-N
SMILES:
[O-]/[N+](=C/CC(=O)c1ccc(cc1)[N+](=O)[O-])/C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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