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832734-25-5 | 2-Octenoic acid, 3-bromo-, methyl ester, (2Z)-
CAS No: 832734-25-5 Catalog No: AG0056H8 MDL No:
Product Description
Catalog Number:
AG0056H8
Chemical Name:
2-Octenoic acid, 3-bromo-, methyl ester, (2Z)-
CAS Number:
832734-25-5
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
IUPAC Name:
methyl 3-bromooct-2-enoate
InChI:
InChI=1S/C9H15BrO2/c1-3-4-5-6-8(10)7-9(11)12-2/h7H,3-6H2,1-2H3
InChI Key:
CPVWVZJZYJUGQU-UHFFFAOYSA-N
SMILES:
CCCCC/C(=C/C(=O)OC)/Br
Properties
Complexity:
164
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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