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116235-86-0 | Cyclohexanol, 2-(3-hydroxy-1-butyn-1-yl)-1,3,3-trimethyl-
CAS No: 116235-86-0 Catalog No: AG000BZP MDL No:
Product Description
Catalog Number:
AG000BZP
Chemical Name:
Cyclohexanol, 2-(3-hydroxy-1-butyn-1-yl)-1,3,3-trimethyl-
CAS Number:
116235-86-0
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
2-(3-hydroxybut-1-ynyl)-1,3,3-trimethylcyclohexan-1-ol
InChI:
InChI=1S/C13H22O2/c1-10(14)6-7-11-12(2,3)8-5-9-13(11,4)15/h10-11,14-15H,5,8-9H2,1-4H3
InChI Key:
BKVVPCFREKQPNT-UHFFFAOYSA-N
SMILES:
CC(C#CC1C(C)(C)CCCC1(C)O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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