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177210-33-2 | 2H-1,4-Benzoxazin-3(4H)-one, 5-hydroxy-
CAS No: 177210-33-2 Catalog No: AG00256G MDL No:MFCD09999155
Product Description
Catalog Number:
AG00256G
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 5-hydroxy-
CAS Number:
177210-33-2
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD09999155
IUPAC Name:
5-hydroxy-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H7NO3/c10-5-2-1-3-6-8(5)9-7(11)4-12-6/h1-3,10H,4H2,(H,9,11)
InChI Key:
RVBZJDZYVVGTTH-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)c(O)ccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Use of 5-hydroxy-4H-benzo[1,4]oxazin-3-ones as beta2-adrenoceptor agonists. | Bioorganic & medicinal chemistry letters 20091201 |
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