이름: cyclohexane dicarboxylic acid
SMILES:
O=C(O)C1(C(=O)O)CCCCC1Molecular Processing
Molecular formula
C8H12O4
Molecular weight
172.18
Exact mass
172.0736
XLogP
1.11
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
40.79
Supplementary Information
상세 정보 불러오는 중…
4개 반응에 참여→