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144339-74-2 | 2H-1-Benzopyran-2-one, 3-amino-4-[(2-hydroxyethyl)amino]-
CAS No: 144339-74-2 Catalog No: AG001JD0 MDL No:
Product Description
Catalog Number:
AG001JD0
Chemical Name:
2H-1-Benzopyran-2-one, 3-amino-4-[(2-hydroxyethyl)amino]-
CAS Number:
144339-74-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
3-amino-4-(2-hydroxyethylamino)chromen-2-one
InChI:
InChI=1S/C11H12N2O3/c12-9-10(13-5-6-14)7-3-1-2-4-8(7)16-11(9)15/h1-4,13-14H,5-6,12H2
InChI Key:
VWXONSZHAWRTEJ-UHFFFAOYSA-N
SMILES:
OCCNc1c(N)c(=O)oc2c1cccc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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