Name: 2,5-dimethyl-3-furoic acid
SMILES:
Cc1cc(C(=O)O)c(C)o1Molecular Processing
Molecular formula
C7H8O3
Molecular weight
140.14
Exact mass
140.0473
XLogP
1.59
TPSA
50.44
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
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
35.14
Supplementary Information
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