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140405-24-9 | 17-Octadecene-5,7,15-triynoic acid, 18-bromo-, ethyl ester, (E)- (9CI)
CAS No: 140405-24-9 Catalog No: AG001CCM MDL No:
Product Description
Catalog Number:
AG001CCM
Chemical Name:
17-Octadecene-5,7,15-triynoic acid, 18-bromo-, ethyl ester, (E)- (9CI)
CAS Number:
140405-24-9
Molecular Formula:
C20H25BrO2
Molecular Weight:
377.3153
IUPAC Name:
ethyl 18-bromooctadec-17-en-5,7,15-triynoate
InChI:
InChI=1S/C20H25BrO2/c1-2-23-20(22)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h17,19H,2-5,7,9,11,14,16,18H2,1H3
InChI Key:
RQDVGKQXVLWXLM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC#CC#CCCCCCCC#C/C=C/Br
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.322g/mol
Monoisotopic Mass:
376.104g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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