Nombre: 8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
SMILES:
CC1C(=O)NC2=C(O1)C(=CC(=C2)C=O)OMolecular Processing
Molecular formula
C10H9NO4
Molecular weight
207.19
Exact mass
207.0532
XLogP
0.92
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
52.21
Supplementary Information
InChIKey: JJZOCPUSOAULSQ-UHFFFAOYSA-N
Sinónimos
SCHEMBL532011JJZOCPUSOAULSQ-UHFFFAOYSA-N8-Hydroxy-2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde
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