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88973-16-4 | 6H-Pyrano[2,3-e]benzoxazol-6-one, 2-(ethylthio)-7,8-dimethyl-
CAS No: 88973-16-4 Catalog No: AG0045BT MDL No:
Product Description
Catalog Number:
AG0045BT
Chemical Name:
6H-Pyrano[2,3-e]benzoxazol-6-one, 2-(ethylthio)-7,8-dimethyl-
CAS Number:
88973-16-4
Molecular Formula:
C14H13NO3S
Molecular Weight:
275.3229
IUPAC Name:
2-ethylsulfanyl-7,8-dimethylpyrano[2,3-e][1,3]benzoxazol-6-one
InChI:
InChI=1S/C14H13NO3S/c1-4-19-14-15-11-10(18-14)6-5-9-12(16)7(2)8(3)17-13(9)11/h5-6H,4H2,1-3H3
InChI Key:
OXOCWJPPXHTVSK-UHFFFAOYSA-N
SMILES:
CCSc1oc2c(n1)c1oc(C)c(c(=O)c1cc2)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.322g/mol
Monoisotopic Mass:
275.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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