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105800-96-2 | 2(3H)-Benzothiazolone, 3-(cyclopropylcarbonyl)-6-methoxy-
CAS No: 105800-96-2 Catalog No: AG00853K MDL No:
Product Description
Catalog Number:
AG00853K
Chemical Name:
2(3H)-Benzothiazolone, 3-(cyclopropylcarbonyl)-6-methoxy-
CAS Number:
105800-96-2
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
3-(cyclopropanecarbonyl)-6-methoxy-1,3-benzothiazol-2-one
InChI:
InChI=1S/C12H11NO3S/c1-16-8-4-5-9-10(6-8)17-12(15)13(9)11(14)7-2-3-7/h4-7H,2-3H2,1H3
InChI Key:
YGMZRVWMBSTASZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(=O)n2C(=O)C1CC1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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