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89450-14-6 | 2-Nonanol, 3-ethynyl-2-methyl-
CAS No: 89450-14-6 Catalog No: AG0042W0 MDL No:
Product Description
Catalog Number:
AG0042W0
Chemical Name:
2-Nonanol, 3-ethynyl-2-methyl-
CAS Number:
89450-14-6
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
3-ethynyl-2-methylnonan-2-ol
InChI:
InChI=1S/C12H22O/c1-5-7-8-9-10-11(6-2)12(3,4)13/h2,11,13H,5,7-10H2,1,3-4H3
InChI Key:
FFKOADNHWWBHOT-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(O)(C)C)C#C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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