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90381-44-5 | 4,7-Dimethoxy-1-naphthaldehyde
CAS No: 90381-44-5 Catalog No: AG003KK9 MDL No:MFCD05865183
Product Description
Catalog Number:
AG003KK9
Chemical Name:
4,7-Dimethoxy-1-naphthaldehyde
CAS Number:
90381-44-5
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD05865183
IUPAC Name:
4,7-dimethoxynaphthalene-1-carbaldehyde
InChI:
InChI=1S/C13H12O3/c1-15-10-4-5-11-12(7-10)9(8-14)3-6-13(11)16-2/h3-8H,1-2H3
InChI Key:
FFAODEUKHYBIKI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C=O)ccc2OC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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