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2777-64-2 | 6-Octadecynoic acid, methyl ester
CAS No: 2777-64-2 Catalog No: AG002UPM MDL No:
Product Description
Catalog Number:
AG002UPM
Chemical Name:
6-Octadecynoic acid, methyl ester
CAS Number:
2777-64-2
Molecular Formula:
C19H34O2
Molecular Weight:
294.4721
IUPAC Name:
methyl octadec-6-ynoate
InChI:
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-12,15-18H2,1-2H3
InChI Key:
BQMKDXICMFVULI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC#CCCCCC(=O)OC
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.256g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.479g/mol
Monoisotopic Mass:
294.256g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
Literature
| Title | Journal |
|---|---|
| Acetylenic acids inhibiting azole-resistant Candida albicans from Pentagonia gigantifolia. | Journal of natural products 20030801 |
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