Home Carboxys 4-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-

4-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-

CAS No.:
1217047-14-7
Catalog Number:
AG0015LX
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
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Product Description
Catalog Number:
AG0015LX
Chemical Name:
4-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-
CAS Number:
1217047-14-7
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD11100075
IUPAC Name:
3-tert-butyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-8(2,3)6-5(7(10)11)4-12-9-6/h4H,1-3H3,(H,10,11)
InChI Key:
FQFFUIWYRYRXCN-UHFFFAOYSA-N
SMILES:
OC(=O)c1conc1C(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:
1.6  
Properties