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14135-40-1 | Cyclohexanemethanol, 1-benzoate
CAS No: 14135-40-1 Catalog No: AG001GA1 MDL No:
Product Description
Catalog Number:
AG001GA1
Chemical Name:
Cyclohexanemethanol, 1-benzoate
CAS Number:
14135-40-1
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
benzoic acid;cyclohexylmethanol
InChI:
InChI=1S/C7H6O2.C7H14O/c8-7(9)6-4-2-1-3-5-6;8-6-7-4-2-1-3-5-7/h1-5H,(H,8,9);7-8H,1-6H2
InChI Key:
NNSBRAWNJDKPRZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCC1CCCCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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