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85924-40-9 | 5-Octenoic acid, 8-bromo-, methyl ester, (Z)-
CAS No: 85924-40-9 Catalog No: AG004QMB MDL No:
Product Description
Catalog Number:
AG004QMB
Chemical Name:
5-Octenoic acid, 8-bromo-, methyl ester, (Z)-
CAS Number:
85924-40-9
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
IUPAC Name:
methyl 8-bromooct-5-enoate
InChI:
InChI=1S/C9H15BrO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2,4H,3,5-8H2,1H3
InChI Key:
NBNWSPBRPVZUSE-UHFFFAOYSA-N
SMILES:
COC(=O)CCC/C=C\CCBr
Properties
Complexity:
144
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:
1
XLogP3:
2.4
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