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4692-94-8 | N-(2-BENZOTHIAZOLYL)-ACETOACETAMIDE
CAS No: 4692-94-8 Catalog No: AG00DZW7 MDL No:
Product Description
Catalog Number:
AG00DZW7
Chemical Name:
N-(2-BENZOTHIAZOLYL)-ACETOACETAMIDE
CAS Number:
4692-94-8
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-3-oxobutanamide
InChI:
InChI=1S/C11H10N2O2S/c1-7(14)6-10(15)13-11-12-8-4-2-3-5-9(8)16-11/h2-5H,6H2,1H3,(H,12,13,15)
InChI Key:
KRVAVIMTIIEASB-UHFFFAOYSA-N
UNII:
6LYP4R9QY6
NSC Number:
86136
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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