Home Other Building Blocks 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid

3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid

CAS No.:
1216319-45-7
Catalog Number:
AG01ACOQ
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
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Product Description
Catalog Number:
AG01ACOQ
Chemical Name:
3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid
CAS Number:
1216319-45-7
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD13188020
IUPAC Name:
3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H15NO3/c1-10(2,3)7-6-11-8(14-7)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChI Key:
XNMKWWHNOUBLMF-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ncc(o1)C(C)(C)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties