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203399-13-7 | 8,10,12-Octadecatriynoic acid
CAS No: 203399-13-7 Catalog No: AG0028V2 MDL No:
Product Description
Catalog Number:
AG0028V2
Chemical Name:
8,10,12-Octadecatriynoic acid
CAS Number:
203399-13-7
Molecular Formula:
C18H24O2
Molecular Weight:
272.3820
IUPAC Name:
octadeca-8,10,12-triynoic acid
InChI:
InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,12-17H2,1H3,(H,19,20)
InChI Key:
ZRDMQHHJJMWDNV-UHFFFAOYSA-N
SMILES:
CCCCCC#CC#CC#CCCCCCCC(=O)O
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.388g/mol
Monoisotopic Mass:
272.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Preparation and cancer cell invasion inhibitory effects of C16-alkynic fatty acids. | Chemical & pharmaceutical bulletin 20030401 |
| Synthesis of polyacetylenic acids isolated from Heisteria acuminata. | Organic letters 20010322 |
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