Name: 2-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetaldehyde
SMILES:
COc1ccc2c(c1)C(=O)C(CC=O)CC2Molecular Processing
Molecular formula
C13H14O3
Molecular weight
218.25
Exact mass
218.0943
XLogP
2.03
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
59.82
Supplementary Information
InChIKey: XPAWNIZABUCTTB-UHFFFAOYSA-N
Synonyme
SCHEMBL8599809XPAWNIZABUCTTB-UHFFFAOYSA-N(RS)-2-(2-oxoethyl)-7-methoxy-1-tetralone1,2,3,4-tetrahydro-7-methoxy-1-oxo-2-naphthaleneacetaldehyde
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