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Home > Nitro Compounds > 87974-55-8
87974-55-8 | Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-
CAS No: 87974-55-8 Catalog No: AG004IF8 MDL No:MFCD00456855
Product Description
Catalog Number:
AG004IF8
Chemical Name:
Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-
CAS Number:
87974-55-8
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD00456855
IUPAC Name:
N-[1-(3-nitrophenyl)ethylidene]hydroxylamine
InChI:
InChI=1S/C8H8N2O3/c1-6(9-11)7-3-2-4-8(5-7)10(12)13/h2-5,11H,1H3
InChI Key:
PDRKZXUNOXCETR-UHFFFAOYSA-N
SMILES:
O/N=C(/c1cccc(c1)[N+](=O)[O-])\C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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