Home Other Building Blocks 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]acetic acid

CAS No.:
1248694-60-1
Catalog Number:
AG01BU3B
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
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Product Description
Catalog Number:
AG01BU3B
Chemical Name:
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
1248694-60-1
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD16745970
IUPAC Name:
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C10H13NO3S/c12-9(13)5-8-6-15-10(11-8)7-1-3-14-4-2-7/h6-7H,1-5H2,(H,12,13)
InChI Key:
XXNRLAZXXFGQAO-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)C1CCOCC1
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties