이름: acetic acid;butan-1-ol;propan-2-one
SMILES:
CCCCO.CC(=O)C.CC(=O)OMolecular Processing
Molecular formula
C9H20O4
Molecular weight
192.25
Exact mass
192.1362
XLogP
1.47
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
3
Fraction Csp3
0.778
Molar refractivity
51.66
Supplementary Information
InChIKey: KJCBCYNGQDISNK-UHFFFAOYSA-N
동의어
n-BuOH acetone AcOHSCHEMBL28964496KJCBCYNGQDISNK-UHFFFAOYSA-N
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