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116118-44-6 | Cyclohexanecarboxylic acid, 4-hydroxy-, propyl ester, cis-
CAS No: 116118-44-6 Catalog No: AG000BNZ MDL No:
Product Description
Catalog Number:
AG000BNZ
Chemical Name:
Cyclohexanecarboxylic acid, 4-hydroxy-, propyl ester, cis-
CAS Number:
116118-44-6
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
propyl 4-hydroxycyclohexane-1-carboxylate
InChI:
InChI=1S/C10H18O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h8-9,11H,2-7H2,1H3
InChI Key:
PGSHKRZDHRICCG-UHFFFAOYSA-N
SMILES:
CCCOC(=O)[C@@H]1CC[C@@H](CC1)O
Properties
Complexity:
160
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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