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13449-08-6 | 2(3H)-Benzothiazolone, 3-(2-propenyl)-
CAS No: 13449-08-6 Catalog No: AG007M61 MDL No:MFCD00114356
Product Description
Catalog Number:
AG007M61
Chemical Name:
2(3H)-Benzothiazolone, 3-(2-propenyl)-
CAS Number:
13449-08-6
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD00114356
IUPAC Name:
3-prop-2-enyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C10H9NOS/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h2-6H,1,7H2
InChI Key:
CUAPJBQDSYKIPW-UHFFFAOYSA-N
SMILES:
C=CCn1c(=O)sc2c1cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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