C1=CC=C(C=C1)CC=O
CAS: 122-78-1
Name: 2-phenylacetaldehyde
SMILES: C1=CC=C(C=C1)CC=O

Molecular Processing

Molecular formula
C8H8O
Molecular weight
120.15
Exact mass
120.0575
XLogP
1.43
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
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
36.21

Supplementary Information

InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N
Synonyme
phenylacetaldehyde2-phenylacetaldehyde122-78-1Benzeneacetaldehyde2-Phenylethanalalpha-TolualdehydePhenylethanalPhenylacetic aldehydealpha-Toluic aldehydeOxophenylethaneAcetaldehyde, phenyl-Benzylcarboxaldehyde1-Oxo-2-phenylethanePhenacetaldehydealpha-PhenylacetaldehydeFEMA No. 2974DTXSID3021483U8J5PLW9MRNSC-406309DTXCID501483CHEBI:16424RefChem:6124204-574-5Hyacinthinphenyl acetaldehydeBenzenacetaldehydephenyl-Acetaldehyde.alpha.-Tolualdehyde.alpha.-Toluic aldehydePhenylacetaldehyde (natural)
Quelle anzeigen →
An 262 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→