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13254-34-7 | 2-Heptanol, 2,6-dimethyl-
CAS No: 13254-34-7 Catalog No: AG0010ST MDL No:MFCD00072198
Product Description
Catalog Number:
AG0010ST
Chemical Name:
2-Heptanol, 2,6-dimethyl-
CAS Number:
13254-34-7
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
MDL Number:
MFCD00072198
IUPAC Name:
2,6-dimethylheptan-2-ol
InChI:
InChI=1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3
InChI Key:
HGDVHRITTGWMJK-UHFFFAOYSA-N
SMILES:
CC(CCCC(O)(C)C)C
EC Number:
236-244-1
UNII:
991142090Z
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.151g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.258g/mol
Monoisotopic Mass:
144.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Fragrance material review on 2,6-dimethyl-2-heptanol. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20100701 |
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