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158861-00-8 | Benzoic acid, 3-(cyclohexyloxy)-
CAS No: 158861-00-8 Catalog No: AG001QZ9 MDL No:MFCD11116366
Product Description
Catalog Number:
AG001QZ9
Chemical Name:
Benzoic acid, 3-(cyclohexyloxy)-
CAS Number:
158861-00-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD11116366
IUPAC Name:
3-cyclohexyloxybenzoic acid
InChI:
InChI=1S/C13H16O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,14,15)
InChI Key:
SEYKRNISPOBNMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OC1CCCCC1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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