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14393-44-3 | 2-Propen-1-ol, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
CAS No: 14393-44-3 Catalog No: AG001IMO MDL No:
Product Description
Catalog Number:
AG001IMO
Chemical Name:
2-Propen-1-ol, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
CAS Number:
14393-44-3
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
InChI:
InChI=1S/C12H20O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,13H,4,6,8-9H2,1-3H3
InChI Key:
GFSKLLUNKJXCDN-UHFFFAOYSA-N
SMILES:
OC/C=C/C1=C(C)CCCC1(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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