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Home > Nitro Compounds > 339278-33-0
339278-33-0 | (2Z)-2-[(1E)-(methoxyimino)methyl]-3-(2-nitrophenyl)prop-2-enenitrile
CAS No: 339278-33-0 Catalog No: AG00IQ2J MDL No:MFCD00663704
Product Description
Catalog Number:
AG00IQ2J
Chemical Name:
(2Z)-2-[(1E)-(methoxyimino)methyl]-3-(2-nitrophenyl)prop-2-enenitrile
CAS Number:
339278-33-0
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD00663704
IUPAC Name:
2-(methoxyiminomethyl)-3-(2-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C11H9N3O3/c1-17-13-8-9(7-12)6-10-4-2-3-5-11(10)14(15)16/h2-6,8H,1H3
InChI Key:
DSKOFVMGHRXXSR-UHFFFAOYSA-N
SMILES:
CO/N=C/C(=C/c1ccccc1[N+](=O)[O-])/C#N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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