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1613051-26-5 | 3-{2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}prop-2-enoic acid
CAS No: 1613051-26-5 Catalog No: AG019PL8 MDL No:MFCD08246129
Product Description
Catalog Number:
AG019PL8
Chemical Name:
3-{2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}prop-2-enoic acid
CAS Number:
1613051-26-5
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD08246129
IUPAC Name:
3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C10H10N2O2S/c1-6-5-12-8(3-4-9(13)14)7(2)11-10(12)15-6/h3-5H,1-2H3,(H,13,14)
InChI Key:
URVNGDQIJADOOF-UHFFFAOYSA-N
SMILES:
Cc1nc2n(c1C=CC(=O)O)cc(s2)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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