이름: methyl isobutyl ketone acetic acid water
SMILES:
CC(=O)CC(C)C.CC(=O)O.OMolecular Processing
Molecular formula
C8H18O4
Molecular weight
178.23
Exact mass
178.1205
XLogP
0.89
TPSA
85.87
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
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
0.75
Molar refractivity
47.06
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→