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72078-39-8 | 1H-Pyrrole-2-carboxylic acid, 5-(2-furanyl)-, methyl ester
CAS No: 72078-39-8 Catalog No: AG005DAJ MDL No:MFCD24549784
Product Description
Catalog Number:
AG005DAJ
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-(2-furanyl)-, methyl ester
CAS Number:
72078-39-8
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD24549784
IUPAC Name:
methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-13-10(12)8-5-4-7(11-8)9-3-2-6-14-9/h2-6,11H,1H3
InChI Key:
FASXMVSZTWKXLD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)c1ccco1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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