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101999-45-5 | 2H-1-Benzopyran-4-acetamide, 7-hydroxy-2-oxo-
CAS No: 101999-45-5 Catalog No: AG00067F MDL No:MFCD06001840
Product Description
Catalog Number:
AG00067F
Chemical Name:
2H-1-Benzopyran-4-acetamide, 7-hydroxy-2-oxo-
CAS Number:
101999-45-5
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD06001840
IUPAC Name:
2-(7-hydroxy-2-oxochromen-4-yl)acetamide
InChI:
InChI=1S/C11H9NO4/c12-10(14)3-6-4-11(15)16-9-5-7(13)1-2-8(6)9/h1-2,4-5,13H,3H2,(H2,12,14)
InChI Key:
YXBOCMCJTKIUAP-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1cc(=O)oc2c1ccc(c2)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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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