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1578-14-9 | 2-Butenoic acid, 2-bromo-3-methyl-
CAS No: 1578-14-9 Catalog No: AG001PQ8 MDL No:MFCD11977693
Product Description
Catalog Number:
AG001PQ8
Chemical Name:
2-Butenoic acid, 2-bromo-3-methyl-
CAS Number:
1578-14-9
Molecular Formula:
C5H7BrO2
Molecular Weight:
179.0119
MDL Number:
MFCD11977693
IUPAC Name:
2-bromo-3-methylbut-2-enoic acid
InChI:
InChI=1S/C5H7BrO2/c1-3(2)4(6)5(7)8/h1-2H3,(H,7,8)
InChI Key:
PKWKVTRJEOMTSE-UHFFFAOYSA-N
SMILES:
CC(=C(C(=O)O)Br)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.963g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.013g/mol
Monoisotopic Mass:
177.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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