Home Carboxys 2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid

2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid

CAS No.:
1423031-12-2
Catalog Number:
AG01A2QN
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
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Product Description
Catalog Number:
AG01A2QN
Chemical Name:
2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
CAS Number:
1423031-12-2
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD20994537
IUPAC Name:
2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C8H9NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h4,6H,1-3H2,(H,10,11)
InChI Key:
KAZDULIBDQUOFX-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)C1CCCO1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties