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Home > Imidazoles > 199679-03-3
199679-03-3 | 2-Propenoic acid, 3-[4-(1H-imidazol-1-yl)phenyl]-, (2E)-
CAS No: 199679-03-3 Catalog No: AG002C9F MDL No:MFCD06205441
Product Description
Catalog Number:
AG002C9F
Chemical Name:
2-Propenoic acid, 3-[4-(1H-imidazol-1-yl)phenyl]-, (2E)-
CAS Number:
199679-03-3
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD06205441
IUPAC Name:
(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H10N2O2/c15-12(16)6-3-10-1-4-11(5-2-10)14-8-7-13-9-14/h1-9H,(H,15,16)/b6-3+
InChI Key:
VTPHRTMDCPLTTK-ZZXKWVIFSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)n1cncc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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