C1C(=O)NC2=C(O1)C=CC(=C2)C=O
CAS: 200195-15-9
Name: 3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)C=O

Molecular Processing

Molecular formula
C9H7NO3
Molecular weight
177.16
Exact mass
177.0426
XLogP
0.83
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
45.95

Supplementary Information

InChIKey: VHKABBARGFUYOF-UHFFFAOYSA-N
Synonyme
3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbaldehydeRefChem:504671676-114-5200195-15-93-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-6-carbaldehydeMFCD073699793-OXO-4H-1,4-BENZOXAZINE-6-CARBALDEHYDE2H-1,4-Benzoxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-CHEMBL24071003-Oxo-34-dihydro-2H-benzo[14]oxazine-6-carbaldehyde3-Oxo-3,4-dihydro-2H-benzo[b]-[1,4]oxazine-6-carbaldehyde3-oxo-2H,4H-benzo[e]1,4-oxazine-6-carbaldehydeSCHEMBL531838DTXSID20444649VHKABBARGFUYOF-UHFFFAOYSA-NALBB-0254423,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]OXAZINE-6-CARBALDEHYDEBDBM50438255SBB072523AKOS009332274MB045256-formyl-4H-benzo[1,4]oxazin-3-oneAS-38199SY192563CS-0085223ST45028409EN300-98111F0403263-oxo-3,4-dihydro-2H-1,4-benzooxazine-6-carbaldehyde
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