Home Carboxys 3-(ethoxycarbonyl)-1,2-oxazole-5-carboxylic acid

3-(ethoxycarbonyl)-1,2-oxazole-5-carboxylic acid

CAS No.:
133674-44-9
Catalog Number:
AG01BHP6
Molecular Formula:
C7H7NO5
Molecular Weight:
185.1342
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Product Description
Catalog Number:
AG01BHP6
Chemical Name:
3-(ethoxycarbonyl)-1,2-oxazole-5-carboxylic acid
CAS Number:
133674-44-9
Molecular Formula:
C7H7NO5
Molecular Weight:
185.1342
MDL Number:
MFCD20646210
IUPAC Name:
3-ethoxycarbonyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C7H7NO5/c1-2-12-7(11)4-3-5(6(9)10)13-8-4/h3H,2H2,1H3,(H,9,10)
InChI Key:
YICMWFKVBQBQDL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(on1)C(=O)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.032g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.135g/mol
Monoisotopic Mass:
185.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties