Home Carboxys 4-methyl-2-(propan-2-yl)-1,3-oxazole-5-carboxylic acid

4-methyl-2-(propan-2-yl)-1,3-oxazole-5-carboxylic acid

CAS No.:
1268091-73-1
Catalog Number:
AG01BBTZ
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
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Product Description
Catalog Number:
AG01BBTZ
Chemical Name:
4-methyl-2-(propan-2-yl)-1,3-oxazole-5-carboxylic acid
CAS Number:
1268091-73-1
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD19347318
IUPAC Name:
4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-4(2)7-9-5(3)6(12-7)8(10)11/h4H,1-3H3,(H,10,11)
InChI Key:
VTWAJTGRBAZVFC-UHFFFAOYSA-N
SMILES:
CC(c1nc(c(o1)C(=O)O)C)C
Properties
Complexity:
181  
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:
1.8  
Properties