Home Carboxys 2-(tert-Butyl)oxazole-4-carboxylic acid

2-(tert-Butyl)oxazole-4-carboxylic acid

CAS No.:
1060816-08-1
Catalog Number:
AG0092T0
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
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Product Description
Catalog Number:
AG0092T0
Chemical Name:
2-(tert-Butyl)oxazole-4-carboxylic acid
CAS Number:
1060816-08-1
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD11847678
IUPAC Name:
2-tert-butyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-8(2,3)7-9-5(4-12-7)6(10)11/h4H,1-3H3,(H,10,11)
InChI Key:
GVWUJKRGBRORLJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc(n1)C(C)(C)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties