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110197-06-3 | 6H-Pyrano[2,3-e]benzoxazol-6-one, 7,8-dimethyl-2-(1-naphthalenyl)-
CAS No: 110197-06-3 Catalog No: AG007VGD MDL No:
Product Description
Catalog Number:
AG007VGD
Chemical Name:
6H-Pyrano[2,3-e]benzoxazol-6-one, 7,8-dimethyl-2-(1-naphthalenyl)-
CAS Number:
110197-06-3
Molecular Formula:
C22H15NO3
Molecular Weight:
341.3594
IUPAC Name:
7,8-dimethyl-2-naphthalen-1-ylpyrano[2,3-e][1,3]benzoxazol-6-one
InChI:
InChI=1S/C22H15NO3/c1-12-13(2)25-21-17(20(12)24)10-11-18-19(21)23-22(26-18)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3
InChI Key:
KUUJOLDNQFRKKD-UHFFFAOYSA-N
SMILES:
Cc1oc2c3nc(oc3ccc2c(=O)c1C)c1cccc2c1cccc2
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.366g/mol
Monoisotopic Mass:
341.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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