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150994-69-7 | 5,9-Tetracosadienoic acid, 6-bromo-, (E,Z)- (9CI)
CAS No: 150994-69-7 Catalog No: AG001MZN MDL No:
Product Description
Catalog Number:
AG001MZN
Chemical Name:
5,9-Tetracosadienoic acid, 6-bromo-, (E,Z)- (9CI)
CAS Number:
150994-69-7
Molecular Formula:
C24H43BrO2
Molecular Weight:
443.5010
IUPAC Name:
6-bromotetracosa-5,9-dienoic acid
InChI:
InChI=1S/C24H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h15-16,21H,2-14,17-20,22H2,1H3,(H,26,27)
InChI Key:
OINPZQORURIPFB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC/C=C\CC/C(=C\CCCC(=O)O)/Br
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.245g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.51g/mol
Monoisotopic Mass:
442.245g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
10.1
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