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887593-75-1 | trans-2-(3-Chlorobenzoyl)cyclohexane-1-carboxylic acid
CAS No: 887593-75-1 Catalog No: AG01F847 MDL No:
Product Description
Catalog Number:
AG01F847
Chemical Name:
trans-2-(3-Chlorobenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
887593-75-1
Molecular Formula:
C14H15ClO3
Molecular Weight:
266.7201
IUPAC Name:
2-(3-chlorobenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H15ClO3/c15-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)14(17)18/h3-5,8,11-12H,1-2,6-7H2,(H,17,18)
InChI Key:
NSALXIWKYUKRPY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCC1C(=O)c1cccc(c1)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.721g/mol
Monoisotopic Mass:
266.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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