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113524-42-8 | Cyclohexanecarboxylic acid, 4-(4-nitrophenyl)-, trans-
CAS No: 113524-42-8 Catalog No: AG0008WQ MDL No:
Product Description
Catalog Number:
AG0008WQ
Chemical Name:
Cyclohexanecarboxylic acid, 4-(4-nitrophenyl)-, trans-
CAS Number:
113524-42-8
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
4-(4-nitrophenyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H15NO4/c15-13(16)11-3-1-9(2-4-11)10-5-7-12(8-6-10)14(17)18/h5-9,11H,1-4H2,(H,15,16)
InChI Key:
ZUARBRLWEPUHQB-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CC[C@H](CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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