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17380-78-8 | Cyclohexanecarboxylic acid, 1-phenyl-, methyl ester
CAS No: 17380-78-8 Catalog No: AG001Z7T MDL No:
Product Description
Catalog Number:
AG001Z7T
Chemical Name:
Cyclohexanecarboxylic acid, 1-phenyl-, methyl ester
CAS Number:
17380-78-8
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
methyl 1-phenylcyclohexane-1-carboxylate
InChI:
InChI=1S/C14H18O2/c1-16-13(15)14(10-6-3-7-11-14)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChI Key:
SGCPKFJYODXFOZ-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCCCC1)c1ccccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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