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288092-98-8 | 4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-1-one
CAS No: 288092-98-8 Catalog No: AG01B896 MDL No:MFCD23916499
Product Description
Catalog Number:
AG01B896
Chemical Name:
4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-1-one
CAS Number:
288092-98-8
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
MDL Number:
MFCD23916499
IUPAC Name:
4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-1-one
InChI:
InChI=1S/C10H15NOS/c1-10(2,3)5-4-9(12)8-6-13-7-11-8/h6-7H,4-5H2,1-3H3
InChI Key:
HOVMVTKDZBSCKW-UHFFFAOYSA-N
SMILES:
O=C(c1ncsc1)CCC(C)(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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