Home Carboxys 5-Isoxazolecarboxylicacid,3-ethoxy-(9CI)

5-Isoxazolecarboxylicacid,3-ethoxy-(9CI)

CAS No.:
135080-29-4
Catalog Number:
AG00AII0
Molecular Formula:
C6H7NO4
Molecular Weight:
157.1241
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Product Description
Catalog Number:
AG00AII0
Chemical Name:
5-Isoxazolecarboxylicacid,3-ethoxy-(9CI)
CAS Number:
135080-29-4
Molecular Formula:
C6H7NO4
Molecular Weight:
157.1241
MDL Number:
MFCD11499027
IUPAC Name:
3-ethoxy-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C6H7NO4/c1-2-10-5-3-4(6(8)9)11-7-5/h3H,2H2,1H3,(H,8,9)
InChI Key:
WMZQNHZWOVCSHF-UHFFFAOYSA-N
SMILES:
CCOc1cc(on1)C(=O)O
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.125g/mol
Monoisotopic Mass:
157.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties