Home Carboxys 4-methyl-2-propyl-1,3-oxazole-5-carboxylic acid

4-methyl-2-propyl-1,3-oxazole-5-carboxylic acid

CAS No.:
113366-52-2
Catalog Number:
AG01ALLS
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ALLS
Chemical Name:
4-methyl-2-propyl-1,3-oxazole-5-carboxylic acid
CAS Number:
113366-52-2
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD21234541
IUPAC Name:
4-methyl-2-propyl-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-3-4-6-9-5(2)7(12-6)8(10)11/h3-4H2,1-2H3,(H,10,11)
InChI Key:
YGEZHIXGWRVVLY-UHFFFAOYSA-N
SMILES:
CCCc1nc(c(o1)C(=O)O)C
Properties
Complexity:
172  
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:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties