Home Other Building Blocks 2-(OXAN-4-YL)-1,3-THIAZOLE-5-CARBOXYLIC ACID

2-(OXAN-4-YL)-1,3-THIAZOLE-5-CARBOXYLIC ACID

CAS No.:
1343317-66-7
Catalog Number:
AG01BIIH
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
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Product Description
Catalog Number:
AG01BIIH
Chemical Name:
2-(OXAN-4-YL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
CAS Number:
1343317-66-7
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD16745978
IUPAC Name:
2-(oxan-4-yl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C9H11NO3S/c11-9(12)7-5-10-8(14-7)6-1-3-13-4-2-6/h5-6H,1-4H2,(H,11,12)
InChI Key:
SBXVQXNODXBJMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)C1CCOCC1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties