COC1=CC=CC2=C1C(=O)OC2=O
CAS: 14963-96-3
Nombre: 4-methoxy-2-benzofuran-1,3-dione
SMILES: COC1=CC=CC2=C1C(=O)OC2=O

Molecular Processing

Molecular formula
C9H6O4
Molecular weight
178.14
Exact mass
178.0266
XLogP
1.01
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
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
0.111
Molar refractivity
42.74

Supplementary Information

InChIKey: KRKJKLCCCGDNCY-UHFFFAOYSA-N
Sinónimos
4-methoxy-1,3-dihydro-2-benzofuran-1,3-dioneRefChem:524465869-290-14-METHOXYISOBENZOFURAN-1,3-DIONE14963-96-34-methoxy-2-benzofuran-1,3-dione4-Methoxy-1,3-isobenzofurandione1,3-Isobenzofurandione,4-methoxy-(9CI)3-methoxyphthalic anhydrideMFCD000347214-methoxy-isobenzofuran-1,3-dione1,3-Isobenzofurandione,4-methoxy-NSC1561463-methoxy-phthalic anhydrideSCHEMBL382674SCHEMBL306100213-methoxy-phthalic acid anhydrideDTXSID40303027KRKJKLCCCGDNCY-UHFFFAOYSA-NCS-B1182PAA96396NSC239373AKOS000278157DS-9979NSC 239373NSC-156146NSC-239373SY115673DB-123500EN300-299733
Ver fuente →
Participa en 40 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→