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2948-14-3 | 2-Furancarboxylic acid, phenyl ester
CAS No: 2948-14-3 Catalog No: AG002YIS MDL No:
Product Description
Catalog Number:
AG002YIS
Chemical Name:
2-Furancarboxylic acid, phenyl ester
CAS Number:
2948-14-3
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
IUPAC Name:
phenyl furan-2-carboxylate
InChI:
InChI=1S/C11H8O3/c12-11(10-7-4-8-13-10)14-9-5-2-1-3-6-9/h1-8H
InChI Key:
YYHDAWBGVZLMAD-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)Oc1ccccc1
NSC Number:
509746
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.182g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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