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86882-77-1 | 8H-Pyrano[2,3-e]benzoxazol-8-one, 1,2-dihydro-6-methyl-2-thioxo-
CAS No: 86882-77-1 Catalog No: AG004LVZ MDL No:
Product Description
Catalog Number:
AG004LVZ
Chemical Name:
8H-Pyrano[2,3-e]benzoxazol-8-one, 1,2-dihydro-6-methyl-2-thioxo-
CAS Number:
86882-77-1
Molecular Formula:
C11H7NO3S
Molecular Weight:
233.2432
IUPAC Name:
6-methyl-2-sulfanylidene-1H-pyrano[2,3-e][1,3]benzoxazol-8-one
InChI:
InChI=1S/C11H7NO3S/c1-5-4-8(13)15-10-6(5)2-3-7-9(10)12-11(16)14-7/h2-4H,1H3,(H,12,16)
InChI Key:
OINUFFACFMJGFU-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)c1[nH]c(=S)oc1cc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.241g/mol
Monoisotopic Mass:
233.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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