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128209-23-4 | 1-Naphthalenecarboxaldehyde, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CAS No: 128209-23-4 Catalog No: AG000XV0 MDL No:
Product Description
Catalog Number:
AG000XV0
Chemical Name:
1-Naphthalenecarboxaldehyde, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CAS Number:
128209-23-4
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
2-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalene-1-carbaldehyde
InChI:
InChI=1S/C17H14N2O4/c1-21-15-9-16(22-2)19-17(18-15)23-14-8-7-11-5-3-4-6-12(11)13(14)10-20/h3-10H,1-2H3
InChI Key:
GHFSIIJZAMROBW-UHFFFAOYSA-N
SMILES:
O=Cc1c(ccc2c1cccc2)Oc1nc(OC)cc(n1)OC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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