CCOC(=O)C1=COC2=C1C(=O)CCCC2
Nom: ethyl 4-oxo-5,6,7,8-tetrahydrocyclohepta[b]furan-3-carboxylate
SMILES: CCOC(=O)C1=COC2=C1C(=O)CCCC2

Molecular Processing

Molecular formula
C12H14O4
Molecular weight
222.24
Exact mass
222.0892
XLogP
2.37
TPSA
56.51
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
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
0.5
Molar refractivity
56.55

Supplementary Information

InChIKey: BBJCQMZMOAMYME-UHFFFAOYSA-N
Synonymes
SCHEMBL7371057BBJCQMZMOAMYME-UHFFFAOYSA-Nethyl 4-oxo-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-3-carboxylate
Voir la source →
Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→