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Home > Nitro Compounds > 203111-43-7
203111-43-7 | 2-Cyclohexen-1-one, 2-[hydroxy(4-nitrophenyl)methyl]-
CAS No: 203111-43-7 Catalog No: AG0028OJ MDL No:
Product Description
Catalog Number:
AG0028OJ
Chemical Name:
2-Cyclohexen-1-one, 2-[hydroxy(4-nitrophenyl)methyl]-
CAS Number:
203111-43-7
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
2-[hydroxy-(4-nitrophenyl)methyl]cyclohex-2-en-1-one
InChI:
InChI=1S/C13H13NO4/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h3,5-8,13,16H,1-2,4H2
InChI Key:
MTNHTQZZUUIZKF-UHFFFAOYSA-N
SMILES:
O=C1CCCC=C1C(c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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