Home Carboxys 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

CAS No.:
929972-88-3
Catalog Number:
AG00IHFD
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
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Product Description
Catalog Number:
AG00IHFD
Chemical Name:
3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CAS Number:
929972-88-3
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD09040738
IUPAC Name:
3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c1-4-6-2-5(8(11)12)3-9-7(6)13-10-4/h2-3H,1H3,(H,11,12)
InChI Key:
NLIRONWJOAZNMV-UHFFFAOYSA-N
SMILES:
Cc1noc2c1cc(cn2)C(=O)O
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties