C1=CC=C(C=C1)OCC=O
CAS: 2120-70-9
Name: 2-phenoxyacetaldehyde
SMILES: C1=CC=C(C=C1)OCC=O

Molecular Processing

Molecular formula
C8H8O2
Molecular weight
136.15
Exact mass
136.0524
XLogP
1.26
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
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

Supplementary Information

InChIKey: XFFILAFLGDUMBF-UHFFFAOYSA-N
Synonyme
2120-70-9PhenoxyacetaldehydeAcetaldehyde, 2-phenoxy-NSC-49355NDR6B5CSP6DTXSID10518583-06-00-00588 (Beilstein Handbook Reference)RefChem:172911DTXCID4030415218-329-52-phenoxyacetaldehydeCortex aldehydeAcetaldehyde, phenoxy-MFCD00134414phenoxy acetaldehydeNSC49355EINECS 218-329-5NSC 49355BRN 0970857CORTEX ALDEHYDE 50 BENZYL ALCOHOLWLN: VH1ORSCHEMBL24458SCHEMBL50487SCHEMBL767167SCHEMBL767168SCHEMBL1936930phenoxyacetaldehyde 50% in peomosaAKOS000111513DS-17598FP165315
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