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20629-35-0 | 2-Butenoic acid, 4-bromo-
CAS No: 20629-35-0 Catalog No: AG002IFI MDL No:MFCD00082701
Product Description
Catalog Number:
AG002IFI
Chemical Name:
2-Butenoic acid, 4-bromo-
CAS Number:
20629-35-0
Molecular Formula:
C4H5BrO2
Molecular Weight:
164.9853
MDL Number:
MFCD00082701
IUPAC Name:
(E)-4-bromobut-2-enoic acid
InChI:
InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+
InChI Key:
DOTGZROJTAUYFQ-OWOJBTEDSA-N
SMILES:
BrCC=CC(=O)O
Properties
Complexity:
87.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Mechanism of inhibition of insulin-stimulated glucose transport by 4-bromocrotonic acid in 3T3-L1 adipocytes. | Cellular signalling 20030301 |
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