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13720-37-1 | 2-Cyclohexene-1-propanol, α,2,6,6-tetramethyl-
CAS No: 13720-37-1 Catalog No: AG0012Y3 MDL No:
Product Description
Catalog Number:
AG0012Y3
Chemical Name:
2-Cyclohexene-1-propanol, α,2,6,6-tetramethyl-
CAS Number:
13720-37-1
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
InChI:
InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,11-12,14H,5,7-9H2,1-4H3
InChI Key:
OTXZMHLBFXFVPP-UHFFFAOYSA-N
SMILES:
CC(CCC1C(=CCCC1(C)C)C)O
EC Number:
237-285-8
Properties
Complexity:
215
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:
3.3
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