Home Carboxys methyl 4-formyl-1,3-thiazole-5-carboxylate

methyl 4-formyl-1,3-thiazole-5-carboxylate

CAS No.:
1803587-70-3
Catalog Number:
AG01BE49
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
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Product Description
Catalog Number:
AG01BE49
Chemical Name:
methyl 4-formyl-1,3-thiazole-5-carboxylate
CAS Number:
1803587-70-3
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
MDL Number:
MFCD28118289
IUPAC Name:
methyl 4-formyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C6H5NO3S/c1-10-6(9)5-4(2-8)7-3-11-5/h2-3H,1H3
InChI Key:
ASXBZJSWCXNSRT-UHFFFAOYSA-N
SMILES:
COC(=O)c1scnc1C=O
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.17g/mol
Monoisotopic Mass:
170.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties