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114411-78-8 | 11,13-Tricosadiynoic acid
CAS No: 114411-78-8 Catalog No: AG000BA1 MDL No:
Product Description
Catalog Number:
AG000BA1
Chemical Name:
11,13-Tricosadiynoic acid
CAS Number:
114411-78-8
Molecular Formula:
C23H38O2
Molecular Weight:
346.5466
IUPAC Name:
tricosa-11,13-diynoic acid
InChI:
InChI=1S/C23H38O2/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/h2-9,14-22H2,1H3,(H,24,25)
InChI Key:
QHBLCLPTJPIXNH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC#CC#CCCCCCCCCCC(=O)O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.287g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.555g/mol
Monoisotopic Mass:
346.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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