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83797-45-9 | HEPTADEC-16-ENE-1,2,4-TRIOL
CAS No: 83797-45-9 Catalog No: AG004WKX MDL No:
Product Description
Catalog Number:
AG004WKX
Chemical Name:
HEPTADEC-16-ENE-1,2,4-TRIOL
CAS Number:
83797-45-9
Molecular Formula:
C17H34O3
Molecular Weight:
286.4501
IUPAC Name:
heptadec-16-ene-1,2,4-triol
InChI:
InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2
InChI Key:
DFEHQWFIOMAGBM-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCCCCC(CC(CO)O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.251g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.456g/mol
Monoisotopic Mass:
286.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| The phytochemical and pharmacological profile of Persea americana Mill. | Pharmacognosy reviews 20100101 |
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