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19041-16-8 | 2-Butenoic acid, 4-bromo-3-methyl-, (2E)-
CAS No: 19041-16-8 Catalog No: AG002EJK MDL No:
Product Description
Catalog Number:
AG002EJK
Chemical Name:
2-Butenoic acid, 4-bromo-3-methyl-, (2E)-
CAS Number:
19041-16-8
Molecular Formula:
C5H7BrO2
Molecular Weight:
179.0119
IUPAC Name:
4-bromo-3-methylbut-2-enoic acid
InChI:
InChI=1S/C5H7BrO2/c1-4(3-6)2-5(7)8/h2H,3H2,1H3,(H,7,8)
InChI Key:
YULJPXSLWCGOOB-UHFFFAOYSA-N
SMILES:
C/C(=C\C(=O)O)/CBr
Properties
Complexity:
118
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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