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Home > Aldehydes > 111258-04-9
111258-04-9 | 2-Naphthalenecarboxaldehyde, 1,6-dimethoxy-
CAS No: 111258-04-9 Catalog No: AG007B73 MDL No:
Product Description
Catalog Number:
AG007B73
Chemical Name:
2-Naphthalenecarboxaldehyde, 1,6-dimethoxy-
CAS Number:
111258-04-9
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
1,6-dimethoxynaphthalene-2-carbaldehyde
InChI:
InChI=1S/C13H12O3/c1-15-11-5-6-12-9(7-11)3-4-10(8-14)13(12)16-2/h3-8H,1-2H3
InChI Key:
QNXLAVGMKCFRQK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2OC)C=O
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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