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82633-79-2 | 2-methyl-4,5-trimethylene-4-isothiazolin-3-one
CAS No: 82633-79-2 Catalog No: AG00G7VA MDL No:
Product Description
Catalog Number:
AG00G7VA
Chemical Name:
2-methyl-4,5-trimethylene-4-isothiazolin-3-one
CAS Number:
82633-79-2
IUPAC Name:
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one
InChI:
InChI=1S/C7H9NOS/c1-8-7(9)5-3-2-4-6(5)10-8/h2-4H2,1H3
InChI Key:
PZOGAKOZVSTZSO-UHFFFAOYSA-N
EC Number:
407-630-9
UNII:
H857315VPU
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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