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123811-75-6 | 2-Pyridinecarboxylic acid, 4-(1,1-dimethylethyl)-, hydrochloride (1:1)
CAS No: 123811-75-6 Catalog No: AG000L4G MDL No:MFCD19690370
Product Description
Catalog Number:
AG000L4G
Chemical Name:
2-Pyridinecarboxylic acid, 4-(1,1-dimethylethyl)-, hydrochloride (1:1)
CAS Number:
123811-75-6
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD19690370
IUPAC Name:
4-tert-butylpyridine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-10(2,3)7-4-5-11-8(6-7)9(12)13;/h4-6H,1-3H3,(H,12,13);1H
InChI Key:
XPWCKHRFHCBIJA-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)C(C)(C)C.Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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