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19041-17-9 | 2-Butenoic acid, 4-bromo-3-methyl-, methyl ester, (2E)-
CAS No: 19041-17-9 Catalog No: AG002EJJ MDL No:
Product Description
Catalog Number:
AG002EJJ
Chemical Name:
2-Butenoic acid, 4-bromo-3-methyl-, methyl ester, (2E)-
CAS Number:
19041-17-9
Molecular Formula:
C6H9BrO2
Molecular Weight:
193.0385
IUPAC Name:
methyl 4-bromo-3-methylbut-2-enoate
InChI:
InChI=1S/C6H9BrO2/c1-5(4-7)3-6(8)9-2/h3H,4H2,1-2H3
InChI Key:
BBMCPEOFGAIHQK-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(/CBr)\C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.979g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.04g/mol
Monoisotopic Mass:
191.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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