CC(=O)O.C1=CC(=CC2=C1C=CC3=C2C(=O)C(=CO3)C=O)O
Nom: acetic acid;9-hydroxy-1-oxobenzo[f]chromene-2-carbaldehyde
SMILES: CC(=O)O.C1=CC(=CC2=C1C=CC3=C2C(=O)C(=CO3)C=O)O

Molecular Processing

Molecular formula
C16H12O6
Molecular weight
300.27
Exact mass
300.0634
XLogP
2.56
TPSA
104.81
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.062
Molar refractivity
80.35

Supplementary Information

InChIKey: JVZQUUYGLLJTSZ-UHFFFAOYSA-N
Synonymes
SCHEMBL11223628JVZQUUYGLLJTSZ-UHFFFAOYSA-N9-hydroxy-1-oxo-1-H-naphtho[2,1-b]pyran-2-carboxaldehyde acetate9-hydroxy-1-oxo-1H-naphtho[2,1-b]pyran-2-carboxaldehyde acetate
Voir la source →
Impliqué dans 10 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→