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717105-06-1 | 2-Pyridinecarboxylicacid, 6-(1,1-dimethylethoxy)-
CAS No: 717105-06-1 Catalog No: AG005FRE MDL No:MFCD06203587
Product Description
Catalog Number:
AG005FRE
Chemical Name:
2-Pyridinecarboxylicacid, 6-(1,1-dimethylethoxy)-
CAS Number:
717105-06-1
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD06203587
IUPAC Name:
6-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxylic acid
InChI:
InChI=1S/C10H13NO3/c1-10(2,3)14-8-6-4-5-7(11-8)9(12)13/h4-6H,1-3H3,(H,12,13)
InChI Key:
YCQBBBFIVUMNRM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(n1)OC(C)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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