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29515-11-5 | 2-Propanone, 1-(2,3-dihydro-2-methyl-2-benzothiazolyl)-
CAS No: 29515-11-5 Catalog No: AG002YML MDL No:
Product Description
Catalog Number:
AG002YML
Chemical Name:
2-Propanone, 1-(2,3-dihydro-2-methyl-2-benzothiazolyl)-
CAS Number:
29515-11-5
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
1-(2-methyl-3H-1,3-benzothiazol-2-yl)propan-2-one
InChI:
InChI=1S/C11H13NOS/c1-8(13)7-11(2)12-9-5-3-4-6-10(9)14-11/h3-6,12H,7H2,1-2H3
InChI Key:
HWKQLFDRXPYESK-UHFFFAOYSA-N
SMILES:
CC(=O)CC1(C)Nc2c(S1)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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