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19780-40-6 | 2-Heptanol, 5-ethyl-
CAS No: 19780-40-6 Catalog No: AG002B11 MDL No:
Product Description
Catalog Number:
AG002B11
Chemical Name:
2-Heptanol, 5-ethyl-
CAS Number:
19780-40-6
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
IUPAC Name:
5-ethylheptan-2-ol
InChI:
InChI=1S/C9H20O/c1-4-9(5-2)7-6-8(3)10/h8-10H,4-7H2,1-3H3
InChI Key:
DYNOLYWQCYQCKX-UHFFFAOYSA-N
SMILES:
CCC(CCC(O)C)CC
Properties
Complexity:
67.1
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:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Potent α-amylase inhibitory activity of Indian Ayurvedic medicinal plants. | BMC complementary and alternative medicine 20110101 |
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