이름: 2-methyl-3-furoic acid
SMILES:
Cc1occc1C(=O)OMolecular Processing
Molecular formula
C6H6O3
Molecular weight
126.11
Exact mass
126.0317
XLogP
1.29
TPSA
50.44
H-bond donors
1
H-bond acceptors
2
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
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
30.4
Supplementary Information
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