CC1=C(C(=O)C=CO1)O
CAS: 118-71-8
Nombre: 3-hydroxy-2-methylpyran-4-one
SMILES: CC1=C(C(=O)C=CO1)O

Molecular Processing

Molecular formula
C6H6O3
Molecular weight
126.11
Exact mass
126.0317
XLogP
0.65
TPSA
50.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
31.38

Supplementary Information

InChIKey: XPCTZQVDEJYUGT-UHFFFAOYSA-N
Sinónimos
MALTOL118-71-83-Hydroxy-2-methyl-4H-pyran-4-one3-Hydroxy-2-methyl-4-pyroneLarixinic acidPalatoneLarixic acidTalmonVetolVeltolCorps praline4H-Pyran-4-one, 3-hydroxy-2-methyl-3-hydroxy-2-methylpyran-4-one2-Methyl pyromeconic acid2-Methyl-3-hydroxy-4-pyrone2-Methylpyromeconic acid2-Methyl-3-hydroxypyrone3-Hydroxy-2-methyl-gamma-pyrone2-Methyl-3-oxy-gamma-pyroneFEMA No. 2656DTXSID0025523NSC 2829NSC-2829NSC-404458Ins no.636Ins-636BRN 01121693A9RD92BS4AI3-18547E-636
Ver fuente →
Participa en 139 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→