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1005785-85-2 | 2-Pyridinecarboxylic acid, 5-(1,1-dimethylethyl)-
CAS No: 1005785-85-2 Catalog No: AG0002DL MDL No:MFCD15526816
Product Description
Catalog Number:
AG0002DL
Chemical Name:
2-Pyridinecarboxylic acid, 5-(1,1-dimethylethyl)-
CAS Number:
1005785-85-2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD15526816
IUPAC Name:
5-tert-butylpyridine-2-carboxylic acid
InChI:
InChI=1S/C10H13NO2/c1-10(2,3)7-4-5-8(9(12)13)11-6-7/h4-6H,1-3H3,(H,12,13)
InChI Key:
BWSHOYXWNFLBBR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cn1)C(C)(C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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