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178736-18-0 | 11,13-Hexacosadiynoic acid
CAS No: 178736-18-0 Catalog No: AG00269I MDL No:
Product Description
Catalog Number:
AG00269I
Chemical Name:
11,13-Hexacosadiynoic acid
CAS Number:
178736-18-0
Molecular Formula:
C26H44O2
Molecular Weight:
388.6264
IUPAC Name:
hexacosa-11,13-diynoic acid
InChI:
InChI=1S/C26H44O2/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)28/h2-12,17-25H2,1H3,(H,27,28)
InChI Key:
TUNUPQVXHMSQEH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC#CC#CCCCCCCCCCC(=O)O
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.334g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.636g/mol
Monoisotopic Mass:
388.334g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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