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88518-96-1 | 7H-Pyrano[3,2-e]benzoxazol-7-one, 9-methyl-2-(propylthio)-
CAS No: 88518-96-1 Catalog No: AG00482Y MDL No:
Product Description
Catalog Number:
AG00482Y
Chemical Name:
7H-Pyrano[3,2-e]benzoxazol-7-one, 9-methyl-2-(propylthio)-
CAS Number:
88518-96-1
Molecular Formula:
C14H13NO3S
Molecular Weight:
275.3229
IUPAC Name:
9-methyl-2-propylsulfanylpyrano[3,2-e][1,3]benzoxazol-7-one
InChI:
InChI=1S/C14H13NO3S/c1-3-6-19-14-15-13-10(18-14)5-4-9-12(13)8(2)7-11(16)17-9/h4-5,7H,3,6H2,1-2H3
InChI Key:
QFDLRLQUAIPTBG-UHFFFAOYSA-N
SMILES:
CCCSc1oc2c(n1)c1c(C)cc(=O)oc1cc2
Properties
Complexity:
398
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:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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