이름: 5-methoxy-10-oxatricyclo[5.2.1.02,6]dec-4-en-3-one
SMILES:
COC1=CC(=O)C2C1C3CCC2O3Molecular Processing
Molecular formula
C10H12O3
Molecular weight
180.2
Exact mass
180.0786
XLogP
0.89
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
44.97
Supplementary Information
InChIKey: LFEQXUBUCXKDPH-UHFFFAOYSA-N
동의어
SCHEMBL2119960LFEQXUBUCXKDPH-UHFFFAOYSA-NRCL T2242275-methoxy-10-oxa-tricyclo[5.2.1.0*2,6*]dec-4-en-3-one(1RS,2SR,6RS,7SR)-5-methoxy-10-oxatricyclo[5.2.1.02,6]dec-4-en-3-one
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