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87707-34-4 | 7(4H)-Benzothiazolone, 5,6-dihydro-6,6-dimethyl-
CAS No: 87707-34-4 Catalog No: AG004JMV MDL No:
Product Description
Catalog Number:
AG004JMV
Chemical Name:
7(4H)-Benzothiazolone, 5,6-dihydro-6,6-dimethyl-
CAS Number:
87707-34-4
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
IUPAC Name:
6,6-dimethyl-4,5-dihydro-1,3-benzothiazol-7-one
InChI:
InChI=1S/C9H11NOS/c1-9(2)4-3-6-7(8(9)11)12-5-10-6/h5H,3-4H2,1-2H3
InChI Key:
LEZLNVJSGMTALY-UHFFFAOYSA-N
SMILES:
O=C1c2scnc2CCC1(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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