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119718-47-7 | Pentacosadiynoic acid
CAS No: 119718-47-7 Catalog No: AG000PI3 MDL No:
Product Description
Catalog Number:
AG000PI3
Chemical Name:
Pentacosadiynoic acid
CAS Number:
119718-47-7
Molecular Formula:
C25H42O2
Molecular Weight:
374.5998
IUPAC Name:
pentacosa-2,4-diynoic acid
InChI:
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-20H2,1H3,(H,26,27)
InChI Key:
DZLWMPMXBUHMQV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCC#CC#CC(=O)O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.318g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.609g/mol
Monoisotopic Mass:
374.318g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
Literature
| Title | Journal |
|---|---|
| Langmuir-Blodgett films of fluorinated glycolipids and polymerizable lipids and their phase separating behavior. | Langmuir : the ACS journal of surfaces and colloids 20101207 |
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