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17692-20-5 | Cyclohexanepropanoic acid, β-hydroxy-β-methyl-
CAS No: 17692-20-5 Catalog No: AG0024ZR MDL No:
Product Description
Catalog Number:
AG0024ZR
Chemical Name:
Cyclohexanepropanoic acid, β-hydroxy-β-methyl-
CAS Number:
17692-20-5
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
3-cyclohexyl-3-hydroxybutanoic acid
InChI:
InChI=1S/C10H18O3/c1-10(13,7-9(11)12)8-5-3-2-4-6-8/h8,13H,2-7H2,1H3,(H,11,12)
InChI Key:
MFERNRNDCJFIAS-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C1CCCCC1)(O)C
Properties
Complexity:
185
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:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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