Home Other Building Blocks 2-ISOPROPOXYISONICOTINIC ACID

2-ISOPROPOXYISONICOTINIC ACID

CAS No.:
862507-33-3
Catalog Number:
AG004JRJ
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG004JRJ
Chemical Name:
2-ISOPROPOXYISONICOTINIC ACID
CAS Number:
862507-33-3
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD09054678
IUPAC Name:
2-propan-2-yloxypyridine-4-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c1-6(2)13-8-5-7(9(11)12)3-4-10-8/h3-6H,1-2H3,(H,11,12)
InChI Key:
WLKDRXHGHKKQGI-UHFFFAOYSA-N
SMILES:
CC(Oc1nccc(c1)C(=O)O)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties