CC1=CC(=CC=C1)C=O
CAS: 620-23-5
Name: 3-methylbenzaldehyde
SMILES: CC1=CC(=CC=C1)C=O

Molecular Processing

Molecular formula
C8H8O
Molecular weight
120.15
Exact mass
120.0575
XLogP
1.81
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
36.57

Supplementary Information

InChIKey: OVWYEQOVUDKZNU-UHFFFAOYSA-N
Synonyme
3-MethylbenzaldehydeM-TOLUALDEHYDE620-23-53-tolualdehydeBenzaldehyde, 3-methyl-m-Methylbenzaldehyde3-Tolylaldehydem-Tolyl aldehydeOWH6650C4YDTXSID6060717NSC-1244NSC-89859CHEBI:28476FEMA NO. 3068, M-RefChem:800392DTXCID1043203210-632-03-methyl-benzaldehydem-ToluylaldehydeMFCD000033743-Methyl-Benzaldehyd3-methyl benzaldehydeNSC 1244EINECS 210-632-0NSC 89859UNII-OWH6650C4Ym-tolylaldehydemetatolualdehydeAI3-02278HSDB 7691
Quelle anzeigen →
An 95 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→