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88295-72-1 | 7-Octen-2-ol, 2,6,6-trimethyl-
CAS No: 88295-72-1 Catalog No: AG0049NZ MDL No:
Product Description
Catalog Number:
AG0049NZ
Chemical Name:
7-Octen-2-ol, 2,6,6-trimethyl-
CAS Number:
88295-72-1
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
2,6,6-trimethyloct-7-en-2-ol
InChI:
InChI=1S/C11H22O/c1-6-10(2,3)8-7-9-11(4,5)12/h6,12H,1,7-9H2,2-5H3
InChI Key:
LPIFYPGFTVDQIA-UHFFFAOYSA-N
SMILES:
C=CC(CCCC(O)(C)C)(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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