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148252-43-1 | 6-Heptenoic acid, 6-bromo-, ethyl ester
CAS No: 148252-43-1 Catalog No: AG001FKL MDL No:
Product Description
Catalog Number:
AG001FKL
Chemical Name:
6-Heptenoic acid, 6-bromo-, ethyl ester
CAS Number:
148252-43-1
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
IUPAC Name:
ethyl 6-bromohept-6-enoate
InChI:
InChI=1S/C9H15BrO2/c1-3-12-9(11)7-5-4-6-8(2)10/h2-7H2,1H3
InChI Key:
YVBBSEWUJPHSFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=C)Br
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.121g/mol
Monoisotopic Mass:
234.026g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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