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1017273-59-4 | Imidazo[2,1-b]thiazole-2-carboxylic acid, 3-methyl-
CAS No: 1017273-59-4 Catalog No: AG0005BI MDL No:MFCD11889936
Product Description
Catalog Number:
AG0005BI
Chemical Name:
Imidazo[2,1-b]thiazole-2-carboxylic acid, 3-methyl-
CAS Number:
1017273-59-4
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD11889936
IUPAC Name:
3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
InChI:
InChI=1S/C7H6N2O2S/c1-4-5(6(10)11)12-7-8-2-3-9(4)7/h2-3H,1H3,(H,10,11)
InChI Key:
AQIPOVXEAHMJOU-UHFFFAOYSA-N
SMILES:
Cc1c(sc2n1ccn2)C(=O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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