Home Other Building Blocks OTAVA-BB BB7020331257

OTAVA-BB BB7020331257

CAS No.:
879636-95-0
Catalog Number:
AG00GVXC
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
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Product Description
Catalog Number:
AG00GVXC
Chemical Name:
OTAVA-BB BB7020331257
CAS Number:
879636-95-0
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD06857927
IUPAC Name:
2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C12H11NO3S/c1-7-10(12(14)15)17-11(13-7)8-4-3-5-9(6-8)16-2/h3-6H,1-2H3,(H,14,15)
InChI Key:
WFBWIROXKGGXAW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nc(c(s1)C(=O)O)C
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties