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13720-13-3

13720-13-3 | Cyclohexanepropanol, α,2,2-trimethyl-6-methylene-

CAS No: 13720-13-3 Catalog No: AG0012X6 MDL No:

Product Description

Catalog Number:
AG0012X6
Chemical Name:
Cyclohexanepropanol, α,2,2-trimethyl-6-methylene-
CAS Number:
13720-13-3
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-ol
InChI:
InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3
InChI Key:
XYSOCYCFJHMQON-UHFFFAOYSA-N
SMILES:
CC(CCC1C(=C)CCCC1(C)C)O
EC Number:
237-284-2

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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