O=C(O)CCC/C=C\CC1C=CCCC1O
名称: 7-(6-hydroxycyclohex-2-enyl)hept-5Z-enoic acid
SMILES: O=C(O)CCC/C=C\CC1C=CCCC1O

Molecular Processing

Molecular formula
C13H20O3
Molecular weight
224.3
Exact mass
224.1412
XLogP
2.51
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
63.11

Supplementary Information

No supplementary data available

10 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→