名称: 3,4-dimethyl-7-methoxyindan-1-one
SMILES:
COc1ccc(C)c2c1C(=O)CC2CMolecular Processing
Molecular formula
C12H14O2
Molecular weight
190.24
Exact mass
190.0994
XLogP
2.69
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
55.09
Supplementary Information
詳細情報を取得中…
2 件の反応に参加→