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1200-07-3 | 2-Propenoic acid, 3-(4-bromophenyl)-
CAS No: 1200-07-3 Catalog No: AG000Q2F MDL No:MFCD00004394
Product Description
Catalog Number:
AG000Q2F
Chemical Name:
2-Propenoic acid, 3-(4-bromophenyl)-
CAS Number:
1200-07-3
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD00004394
IUPAC Name:
(E)-3-(4-bromophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChI Key:
CPDDDTNAMBSPRN-ZZXKWVIFSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)Br
EC Number:
214-850-7
NSC Number:
218449
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
225.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.057g/mol
Monoisotopic Mass:
225.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of trans-cinnamic acid derivatives on alpha-glucosidase inhibition. | Bioorganic & medicinal chemistry letters 20040607 |
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