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Home > Nitro Compounds > 138040-05-8
138040-05-8 | 2-Cyclohexen-1-one, 3-hydroxy-2-(2-nitrophenyl)-
CAS No: 138040-05-8 Catalog No: AG0017VU MDL No:
Product Description
Catalog Number:
AG0017VU
Chemical Name:
2-Cyclohexen-1-one, 3-hydroxy-2-(2-nitrophenyl)-
CAS Number:
138040-05-8
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
3-hydroxy-2-(2-nitrophenyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C12H11NO4/c14-10-6-3-7-11(15)12(10)8-4-1-2-5-9(8)13(16)17/h1-2,4-5,14H,3,6-7H2
InChI Key:
MCNDFMDNJWWCDP-UHFFFAOYSA-N
SMILES:
OC1=C(C(=O)CCC1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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