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820209-54-9 | 2-Naphthalenecarboxaldehyde, 1-(2-oxo-2H-1-benzopyran-4-yl)-
CAS No: 820209-54-9 Catalog No: AG004YTU MDL No:
Product Description
Catalog Number:
AG004YTU
Chemical Name:
2-Naphthalenecarboxaldehyde, 1-(2-oxo-2H-1-benzopyran-4-yl)-
CAS Number:
820209-54-9
Molecular Formula:
C20H12O3
Molecular Weight:
300.3075
IUPAC Name:
1-(2-oxochromen-4-yl)naphthalene-2-carbaldehyde
InChI:
InChI=1S/C20H12O3/c21-12-14-10-9-13-5-1-2-6-15(13)20(14)17-11-19(22)23-18-8-4-3-7-16(17)18/h1-12H
InChI Key:
XDTDYUDJFNIQTA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1c1cc(=O)oc3c1cccc3)cccc2
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.313g/mol
Monoisotopic Mass:
300.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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