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14224-22-7 | Cyclohexanecarboxylic acid, 4-methylphenyl ester
CAS No: 14224-22-7 Catalog No: AG001I18 MDL No:
Product Description
Catalog Number:
AG001I18
Chemical Name:
Cyclohexanecarboxylic acid, 4-methylphenyl ester
CAS Number:
14224-22-7
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
(4-methylphenyl) cyclohexanecarboxylate
InChI:
InChI=1S/C14H18O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChI Key:
ROILWCFQYYHWEB-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)Oc1ccc(cc1)C
EC Number:
238-094-2
Properties
Complexity:
223
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:
4.1
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