Home Carboxys 2-methoxycarbonyl-1,3-oxazole-4-carboxylic acid

2-methoxycarbonyl-1,3-oxazole-4-carboxylic acid

CAS No.:
885704-73-4
Catalog Number:
AG01E2KC
Molecular Formula:
C6H5NO5
Molecular Weight:
171.1076
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Product Description
Catalog Number:
AG01E2KC
Chemical Name:
2-methoxycarbonyl-1,3-oxazole-4-carboxylic acid
CAS Number:
885704-73-4
Molecular Formula:
C6H5NO5
Molecular Weight:
171.1076
MDL Number:
MFCD28672778
IUPAC Name:
2-methoxycarbonyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C6H5NO5/c1-11-6(10)4-7-3(2-12-4)5(8)9/h2H,1H3,(H,8,9)
InChI Key:
NZZZNPZAFJRZTK-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(co1)C(=O)O
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.017g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.108g/mol
Monoisotopic Mass:
171.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties