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7531-76-2 | Ethanone,1-(4,5-dimethyl-2-thiazolyl)-
CAS No: 7531-76-2 Catalog No: AG005YGS MDL No:MFCD03093823
Product Description
Catalog Number:
AG005YGS
Chemical Name:
Ethanone,1-(4,5-dimethyl-2-thiazolyl)-
CAS Number:
7531-76-2
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
MDL Number:
MFCD03093823
IUPAC Name:
1-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
InChI:
InChI=1S/C7H9NOS/c1-4-6(3)10-7(8-4)5(2)9/h1-3H3
InChI Key:
NQBBXAHMYZUTSW-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc(c(n1)C)C
Properties
Complexity:
149
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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