Home Other Building Blocks 2-{2-[(oxolan-2-yl)methyl]-1,3-thiazol-4-yl}acetic acid

2-{2-[(oxolan-2-yl)methyl]-1,3-thiazol-4-yl}acetic acid

CAS No.:
1094219-64-3
Catalog Number:
AG01C3FU
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
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Product Description
Catalog Number:
AG01C3FU
Chemical Name:
2-{2-[(oxolan-2-yl)methyl]-1,3-thiazol-4-yl}acetic acid
CAS Number:
1094219-64-3
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD11180932
IUPAC Name:
2-[2-(oxolan-2-ylmethyl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C10H13NO3S/c12-10(13)4-7-6-15-9(11-7)5-8-2-1-3-14-8/h6,8H,1-5H2,(H,12,13)
InChI Key:
RSIFXGTXQZHDJW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)CC1CCCO1
Properties
Complexity:
237  
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:
4  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties