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25312-34-9 | 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
CAS No: 25312-34-9 Catalog No: AG002L8C MDL No:
Product Description
Catalog Number:
AG002L8C
Chemical Name:
3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
CAS Number:
25312-34-9
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
InChI:
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+
InChI Key:
PWDOJWCZWKWKSE-BQYQJAHWSA-N
SMILES:
CC(/C=C/C1C(=CCCC1(C)C)C)O
FEMA Number:
3624
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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