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13252-84-1 | 2H-1-Benzopyran-2-one, 4-hydroxy-6-methoxy-
CAS No: 13252-84-1 Catalog No: AG0010S3 MDL No:MFCD00463526
Product Description
Catalog Number:
AG0010S3
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-6-methoxy-
CAS Number:
13252-84-1
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD00463526
IUPAC Name:
4-hydroxy-6-methoxychromen-2-one
InChI:
InChI=1S/C10H8O4/c1-13-6-2-3-9-7(4-6)8(11)5-10(12)14-9/h2-5,11H,1H3
InChI Key:
KFXXRRQBVLINPH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(O)cc(=O)o2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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