CCOC(=O)C(=O)C(=C(C1=C(C=C(C=C1C)C)C)O)N=O
名称: ethyl 4-hydroxy-3-nitroso-2-oxo-4-(2,4,6-trimethylphenyl)but-3-enoate
SMILES: CCOC(=O)C(=O)C(=C(C1=C(C=C(C=C1C)C)C)O)N=O

Molecular Processing

Molecular formula
C15H17NO5
Molecular weight
291.3
Exact mass
291.1107
XLogP
2.74
TPSA
93.03
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
77.64

Supplementary Information

InChIKey: HVJPWDMRIUGQAK-UHFFFAOYSA-N
同義語
SCHEMBL7218434SCHEMBL7218436GKOXJVKYYOLYGR-UHFFFAOYSA-NEthyl 2,4-dioxo-3-oximino-4-(2,4,6-trimethvlphenyl)butanoateEthyl 2,4-dioxo-3-oximino-4-(2,4,6-trimethylphenyl)butanoate
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