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1216-44-0 | 9H-Fluorene-9-carboxylic acid, 9-hydroxy-, methyl ester
CAS No: 1216-44-0 Catalog No: AG0015E4 MDL No:MFCD00055367
Product Description
Catalog Number:
AG0015E4
Chemical Name:
9H-Fluorene-9-carboxylic acid, 9-hydroxy-, methyl ester
CAS Number:
1216-44-0
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD00055367
IUPAC Name:
methyl 9-hydroxyfluorene-9-carboxylate
InChI:
InChI=1S/C15H12O3/c1-18-14(16)15(17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9,17H,1H3
InChI Key:
AJKQZRAAQMBNKM-UHFFFAOYSA-N
SMILES:
COC(=O)C1(O)c2ccccc2c2c1cccc2
UNII:
8236N335K1
NSC Number:
106351
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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