C1=CC=C(C=C1)COC(=O)C2=CC=C(O2)C(=O)O
Nom: 5-phenylmethoxycarbonylfuran-2-carboxylic acid
SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=C(O2)C(=O)O

Molecular Processing

Molecular formula
C13H10O5
Molecular weight
246.22
Exact mass
246.0528
XLogP
2.33
TPSA
76.74
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
61.23

Supplementary Information

InChIKey: MMJOSUGXCKBUQH-UHFFFAOYSA-N
Synonymes
SCHEMBL4139421MMJOSUGXCKBUQH-UHFFFAOYSA-NFuran-2,5-dicarboxylic Acid Monobenzyl Ester
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→