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88973-14-2 | 6H-Pyrano[2,3-e]benzoxazol-6-one, 1,2-dihydro-7,8-dimethyl-2-thioxo-
CAS No: 88973-14-2 Catalog No: AG0046UZ MDL No:
Product Description
Catalog Number:
AG0046UZ
Chemical Name:
6H-Pyrano[2,3-e]benzoxazol-6-one, 1,2-dihydro-7,8-dimethyl-2-thioxo-
CAS Number:
88973-14-2
Molecular Formula:
C12H9NO3S
Molecular Weight:
247.2698
IUPAC Name:
7,8-dimethyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-6-one
InChI:
InChI=1S/C12H9NO3S/c1-5-6(2)15-11-7(10(5)14)3-4-8-9(11)13-12(17)16-8/h3-4H,1-2H3,(H,13,17)
InChI Key:
FOOGUNZDAUZXQU-UHFFFAOYSA-N
SMILES:
Cc1oc2c3[nH]c(=S)oc3ccc2c(=O)c1C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.268g/mol
Monoisotopic Mass:
247.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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