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832734-30-2 | 2-Pentenoic acid, 3-bromo-4,4-dimethyl-, methyl ester, (2Z)-
CAS No: 832734-30-2 Catalog No: AG004XVK MDL No:
Product Description
Catalog Number:
AG004XVK
Chemical Name:
2-Pentenoic acid, 3-bromo-4,4-dimethyl-, methyl ester, (2Z)-
CAS Number:
832734-30-2
Molecular Formula:
C8H13BrO2
Molecular Weight:
221.0916
IUPAC Name:
methyl 3-bromo-4,4-dimethylpent-2-enoate
InChI:
InChI=1S/C8H13BrO2/c1-8(2,3)6(9)5-7(10)11-4/h5H,1-4H3
InChI Key:
OUAQNHQJRXMTLG-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(/C(C)(C)C)\Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.094g/mol
Monoisotopic Mass:
220.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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