Home Carboxys 3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid

3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid

CAS No.:
2059988-55-3
Catalog Number:
AG01BWI5
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG01BWI5
Chemical Name:
3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid
CAS Number:
2059988-55-3
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD30477147
IUPAC Name:
3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C8H9NO4/c1-8(3-12-4-8)6-5(7(10)11)2-13-9-6/h2H,3-4H2,1H3,(H,10,11)
InChI Key:
LQDDGECSSPCHRQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1conc1C1(C)COC1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties