이름: 2,3,4,5-tetrahydro-1-benzoxepine-8-carbaldehyde
SMILES:
O=Cc1ccc2c(c1)OCCCC2Molecular Processing
Molecular formula
C11H12O2
Molecular weight
176.21
Exact mass
176.0837
XLogP
2.21
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
50.26
Supplementary Information
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