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17449-76-2 | Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester
CAS No: 17449-76-2 Catalog No: AG001ZPC MDL No:MFCD00729087
Product Description
Catalog Number:
AG001ZPC
Chemical Name:
Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester
CAS Number:
17449-76-2
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00729087
IUPAC Name:
methyl 4-hydroxycyclohexane-1-carboxylate
InChI:
InChI=1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
InChI Key:
HYDYVXROZHFTGB-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(CC1)O
EC Number:
241-464-6
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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