Home Carboxys 2-Cyclobutyl-4-oxazolecarboxylic Acid

2-Cyclobutyl-4-oxazolecarboxylic Acid

CAS No.:
1190314-33-0
Catalog Number:
AG008VQ5
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG008VQ5
Chemical Name:
2-Cyclobutyl-4-oxazolecarboxylic Acid
CAS Number:
1190314-33-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD12962564
IUPAC Name:
2-cyclobutyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c10-8(11)6-4-12-7(9-6)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChI Key:
BHGYEFGSVNXEME-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc(n1)C1CCC1
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties