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86649-59-4 | 5-((Dimethylamino);methyl);furan-2-carboxylic acid
CAS No: 86649-59-4 Catalog No: AG004OK6 MDL No:MFCD03274585
Product Description
Catalog Number:
AG004OK6
Chemical Name:
5-((Dimethylamino);methyl);furan-2-carboxylic acid
CAS Number:
86649-59-4
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD03274585
IUPAC Name:
5-[(dimethylamino)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-9(2)5-6-3-4-7(12-6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChI Key:
LLPIDIFMBNAYOD-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(o1)C(=O)O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^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 |
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