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1086380-33-7 | 5-(2-Furyl)-1,3-thiazole-4-carboxylic acid
CAS No: 1086380-33-7 Catalog No: AG01FB58 MDL No:
Product Description
Catalog Number:
AG01FB58
Chemical Name:
5-(2-Furyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
1086380-33-7
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
IUPAC Name:
5-(furan-2-yl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C8H5NO3S/c10-8(11)6-7(13-4-9-6)5-2-1-3-12-5/h1-4H,(H,10,11)
InChI Key:
APOQJKDBGXKQTM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncsc1c1ccco1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.192g/mol
Monoisotopic Mass:
194.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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