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164667-61-2 | 4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 4-methyl-, methyl ester
CAS No: 164667-61-2 Catalog No: AG001V11 MDL No:MFCD07772856
Product Description
Catalog Number:
AG001V11
Chemical Name:
4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 4-methyl-, methyl ester
CAS Number:
164667-61-2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD07772856
IUPAC Name:
methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate
InChI:
InChI=1S/C9H9NO3/c1-10-6-3-4-13-8(6)5-7(10)9(11)12-2/h3-5H,1-2H3
InChI Key:
HLHDMNYTHYLWHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(n1C)cco2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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