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150994-71-1 | 5,9-Pentacosadienoic acid, 6-bromo-, (E,Z)- (9CI)
CAS No: 150994-71-1 Catalog No: AG001MZM MDL No:
Product Description
Catalog Number:
AG001MZM
Chemical Name:
5,9-Pentacosadienoic acid, 6-bromo-, (E,Z)- (9CI)
CAS Number:
150994-71-1
Molecular Formula:
C25H45BrO2
Molecular Weight:
457.5276
IUPAC Name:
6-bromopentacosa-5,9-dienoic acid
InChI:
InChI=1S/C25H45BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)22-19-20-23-25(27)28/h16-17,22H,2-15,18-21,23H2,1H3,(H,27,28)
InChI Key:
VRACWEMNOVUYQJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC/C=C\CC/C(=C\CCCC(=O)O)/Br
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.26g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
457.537g/mol
Monoisotopic Mass:
456.26g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
10.6
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