이름: 3-phenylprop-2-enyl carbonate
SMILES:
C1=CC=C(C=C1)C=CCOC(=O)[O-]Molecular Processing
Molecular formula
C10H9O3-
Molecular weight
177.18
Exact mass
177.0557
XLogP
1.06
TPSA
49.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
46.82
Supplementary Information
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