C=CC[C@H](C)C=O
名称: (2S)-2-methyl-4-pentenal
SMILES: C=CC[C@H](C)C=O

Molecular Processing

Molecular formula
C6H10O
Molecular weight
98.14
Exact mass
98.0732
XLogP
1.4
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
30.04

Supplementary Information

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