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141045-76-3 | 2-Octenoic acid, 8-bromo-, ethyl ester, (E)- (9CI)
CAS No: 141045-76-3 Catalog No: AG001FSC MDL No:
Product Description
Catalog Number:
AG001FSC
Chemical Name:
2-Octenoic acid, 8-bromo-, ethyl ester, (E)- (9CI)
CAS Number:
141045-76-3
Molecular Formula:
C10H17BrO2
Molecular Weight:
249.1448
IUPAC Name:
ethyl 8-bromooct-2-enoate
InChI:
InChI=1S/C10H17BrO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h6,8H,2-5,7,9H2,1H3
InChI Key:
GZGIIWWQPWRWIB-UHFFFAOYSA-N
SMILES:
BrCCCCC/C=C/C(=O)OCC
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.148g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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