Nombre: ethyl 7-cyclopropylheptanoate
SMILES:
CCOC(=O)CCCCCCC1CC1Molecular Processing
Molecular formula
C12H22O2
Molecular weight
198.31
Exact mass
198.162
XLogP
3.3
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
57.06
Supplementary Information
InChIKey: AINTXDXDLMRTDH-UHFFFAOYSA-N
Sinónimos
ethyl 7-cyclopropylheptanoateSCHEMBL4449957AINTXDXDLMRTDH-UHFFFAOYSA-N
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