Name: oxaldehyde;6-phenylmethoxy-4H-1,4-benzoxazin-3-one;hydrate
SMILES:
O.O=C1COc2ccc(OCc3ccccc3)cc2N1.O=CC=OMolecular Processing
Molecular formula
C17H17NO6
Molecular weight
331.32
Exact mass
331.1056
XLogP
1.16
TPSA
113.2
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.118
Molar refractivity
87.08
Supplementary Information
InChIKey: NFMPBJPUTVLPDD-UHFFFAOYSA-N
Synonyme
SCHEMBL2536819NFMPBJPUTVLPDD-UHFFFAOYSA-N(6-benzyloxy-4H-benzo[1,4]oxazin-3-one)-glyoxal hydrate
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