COC(=O)C1(c2ccc3c(c2)C(C)(C)CO3)CC1
名称: 1-(3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-cyclopropanecarboxylic acid methyl ester
SMILES: COC(=O)C1(c2ccc3c(c2)C(C)(C)CO3)CC1

Molecular Processing

Molecular formula
C15H18O3
Molecular weight
246.31
Exact mass
246.1256
XLogP
2.56
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
67.89

Supplementary Information

詳細情報を取得中…

35 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→