CC1=CC=C(O1)C=O
CAS: 620-02-0
Name: 5-methylfuran-2-carbaldehyde
SMILES: CC1=CC=C(O1)C=O

Molecular Processing

Molecular formula
C6H6O2
Molecular weight
110.11
Exact mass
110.0368
XLogP
1.4
TPSA
30.21
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
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
0.167
Molar refractivity
28.83

Supplementary Information

InChIKey: OUDFNZMQXZILJD-UHFFFAOYSA-N
Synonyme
5-METHYLFURFURAL5-Methylfuran-2-carbaldehyde5-Methyl-2-furaldehyde5-Methyl-2-furfural5-Methyl-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-methyl-5-methyl-2-furancarbaldehydeFurfural, 5-methyl-CCRIS 29215-Methyl-2-furanaldehyde5-MethyIfurfuralEINECS 210-622-6UNII-4482BZC72DBRN 01068955-METHYLFURAN-2-ALDEHYDEAI3-36591METHYL-5-FURALDEHYDEMETHYL FURFURAL, 5-DTXSID1060714OUDFNZMQXZILJD-UHFFFAOYSA-5-17-09-00404 (Beilstein Handbook Reference)5-METHYL-2-FURFURYLALDEHYDE2-FORMYL-5-METHYLTETRAHYDROFURANmethylfurfuralRefChem:103192DTXCID6043200InChI=1/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3OUDFNZMQXZILJD-UHFFFAOYSA-N620-02-05-Methyl furfural
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