C=C(CCl)CC#CC(C)(C)O
SMILES: C=C(CCl)CC#CC(C)(C)O

Molecular Processing

Molecular formula
C9H13ClO
Molecular weight
172.66
Exact mass
172.0655
XLogP
1.95
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
48.55

Supplementary Information

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