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2960-28-3 | Cyclohexanol, 1-(3-hydroxy-3-methyl-1-butyn-1-yl)-
CAS No: 2960-28-3 Catalog No: AG002YVD MDL No:
Product Description
Catalog Number:
AG002YVD
Chemical Name:
Cyclohexanol, 1-(3-hydroxy-3-methyl-1-butyn-1-yl)-
CAS Number:
2960-28-3
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
1-(3-hydroxy-3-methylbut-1-ynyl)cyclohexan-1-ol
InChI:
InChI=1S/C11H18O2/c1-10(2,12)8-9-11(13)6-4-3-5-7-11/h12-13H,3-7H2,1-2H3
InChI Key:
KSLANYYODUTZEF-UHFFFAOYSA-N
SMILES:
CC(C#CC1(O)CCCCC1)(O)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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