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84604-60-4 | Cyclohexanemethanol, a-butyl-2-hydroxy-
CAS No: 84604-60-4 Catalog No: AG00511F MDL No:
Product Description
Catalog Number:
AG00511F
Chemical Name:
Cyclohexanemethanol, a-butyl-2-hydroxy-
CAS Number:
84604-60-4
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
IUPAC Name:
2-(1-hydroxypentyl)cyclohexan-1-ol
InChI:
InChI=1S/C11H22O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h9-13H,2-8H2,1H3
InChI Key:
SHHNDYQHPWSWAE-UHFFFAOYSA-N
SMILES:
CCCCC(C1CCCCC1O)O
EC Number:
283-342-5
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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