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24557-12-8 | 2-Propenoic acid, 3-bromo-2-methyl-, (2Z)-
CAS No: 24557-12-8 Catalog No: AG002OJM MDL No:
Product Description
Catalog Number:
AG002OJM
Chemical Name:
2-Propenoic acid, 3-bromo-2-methyl-, (2Z)-
CAS Number:
24557-12-8
Molecular Formula:
C4H5BrO2
Molecular Weight:
164.9853
IUPAC Name:
3-bromo-2-methylprop-2-enoic acid
InChI:
InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h2H,1H3,(H,6,7)
InChI Key:
PWWIAWDCLANFSS-UHFFFAOYSA-N
SMILES:
C/C(=C/Br)/C(=O)O
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.947g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.986g/mol
Monoisotopic Mass:
163.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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