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126909-38-4 | 5-Thiazolecarboxylic acid, 2-methoxy-4-methyl-
CAS No: 126909-38-4 Catalog No: AG000TG4 MDL No:MFCD08456936
Product Description
Catalog Number:
AG000TG4
Chemical Name:
5-Thiazolecarboxylic acid, 2-methoxy-4-methyl-
CAS Number:
126909-38-4
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
MDL Number:
MFCD08456936
IUPAC Name:
2-methoxy-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H7NO3S/c1-3-4(5(8)9)11-6(7-3)10-2/h1-2H3,(H,8,9)
InChI Key:
NNMGTKSNBXYSER-UHFFFAOYSA-N
SMILES:
COc1nc(c(s1)C(=O)O)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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