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1385694-66-5 | Cyclohexanecarboxylic acid, 1-(2-nitrophenyl)-4-oxo-
CAS No: 1385694-66-5 Catalog No: AG0018RJ MDL No:MFCD22423136
Product Description
Catalog Number:
AG0018RJ
Chemical Name:
Cyclohexanecarboxylic acid, 1-(2-nitrophenyl)-4-oxo-
CAS Number:
1385694-66-5
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
MDL Number:
MFCD22423136
IUPAC Name:
1-(2-nitrophenyl)-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H13NO5/c15-9-5-7-13(8-6-9,12(16)17)10-3-1-2-4-11(10)14(18)19/h1-4H,5-8H2,(H,16,17)
InChI Key:
HHHWBFKHAPRVLK-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)(C(=O)O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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