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88735-53-9 | 3H-Naphtho[2,1-b]pyran-3-one, 2-[2-(4-methylphenyl)-4-thiazolyl]-
CAS No: 88735-53-9 Catalog No: AG004669 MDL No:
Product Description
Catalog Number:
AG004669
Chemical Name:
3H-Naphtho[2,1-b]pyran-3-one, 2-[2-(4-methylphenyl)-4-thiazolyl]-
CAS Number:
88735-53-9
Molecular Formula:
C23H15NO2S
Molecular Weight:
369.4357
IUPAC Name:
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzo[f]chromen-3-one
InChI:
InChI=1S/C23H15NO2S/c1-14-6-8-16(9-7-14)22-24-20(13-27-22)19-12-18-17-5-3-2-4-15(17)10-11-21(18)26-23(19)25/h2-13H,1H3
InChI Key:
AQQGXCVXAJZZRD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.082g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.438g/mol
Monoisotopic Mass:
369.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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