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83495-10-7 | 2-Naphthalenecarboxaldehyde, 5,6-dihydro-1,4-dimethoxy-
CAS No: 83495-10-7 Catalog No: AG005922 MDL No:
Product Description
Catalog Number:
AG005922
Chemical Name:
2-Naphthalenecarboxaldehyde, 5,6-dihydro-1,4-dimethoxy-
CAS Number:
83495-10-7
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
1,4-dimethoxy-5,6-dihydronaphthalene-2-carbaldehyde
InChI:
InChI=1S/C13H14O3/c1-15-12-7-9(8-14)13(16-2)11-6-4-3-5-10(11)12/h4,6-8H,3,5H2,1-2H3
InChI Key:
ZCMMTTKTCHAHOY-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c2c1CCC=C2)OC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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