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113435-88-4 | Cyclohexaneacetic acid, 2-hydroxyethyl ester
CAS No: 113435-88-4 Catalog No: AG0008KY MDL No:
Product Description
Catalog Number:
AG0008KY
Chemical Name:
Cyclohexaneacetic acid, 2-hydroxyethyl ester
CAS Number:
113435-88-4
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
2-hydroxyethyl 2-cyclohexylacetate
InChI:
InChI=1S/C10H18O3/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h9,11H,1-8H2
InChI Key:
GLHDKULSVRHJJI-UHFFFAOYSA-N
SMILES:
OCCOC(=O)CC1CCCCC1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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