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88735-86-8 | 2(3H)-Thiazolone, 4-(2-oxo-2H-1-benzopyran-3-yl)-, 2-hydrazone
CAS No: 88735-86-8 Catalog No: AG0088UC MDL No:
Product Description
Catalog Number:
AG0088UC
Chemical Name:
2(3H)-Thiazolone, 4-(2-oxo-2H-1-benzopyran-3-yl)-, 2-hydrazone
CAS Number:
88735-86-8
Molecular Formula:
C12H9N3O2S
Molecular Weight:
259.2838
IUPAC Name:
3-(2-hydrazinyl-1,3-thiazol-4-yl)chromen-2-one
InChI:
InChI=1S/C12H9N3O2S/c13-15-12-14-9(6-18-12)8-5-7-3-1-2-4-10(7)17-11(8)16/h1-6H,13H2,(H,14,15)
InChI Key:
FLKAPQQREGENAH-UHFFFAOYSA-N
SMILES:
NN=c1scc([nH]1)c1cc2ccccc2oc1=O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.283g/mol
Monoisotopic Mass:
259.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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