CC1=C(C=C(C=C1)O)C=O
CAS: 23942-00-9
Nom: 5-hydroxy-2-methylbenzaldehyde
SMILES: CC1=C(C=C(C=C1)O)C=O

Molecular Processing

Molecular formula
C8H8O2
Molecular weight
136.15
Exact mass
136.0524
XLogP
1.51
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
38.23

Supplementary Information

InChIKey: QONBQACIGSEEDX-UHFFFAOYSA-N
Synonymes
5-Hydroxy-2-methylbenzaldehyde23942-00-9RefChem:536188810-214-3MFCD16997527Benzaldehyde, 5-hydroxy-2-methyl-2-methyl-5-hydroxybenzaldehydeSCHEMBL34290325-hydroxy-2-methyl-benzaldehydeSCHEMBL28790418SCHEMBL30204286CL9362AKOS022181919MB23457AS-19854DA-37314SY102994CS-0132526F438367
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Impliqué dans 7 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→