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42205-74-3 | 4-(tert-Butyl);picolinic acid
CAS No: 42205-74-3 Catalog No: AG003KAN MDL No:MFCD07437876
Product Description
Catalog Number:
AG003KAN
Chemical Name:
4-(tert-Butyl);picolinic acid
CAS Number:
42205-74-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD07437876
IUPAC Name:
4-tert-butylpyridine-2-carboxylic acid
InChI:
InChI=1S/C10H13NO2/c1-10(2,3)7-4-5-11-8(6-7)9(12)13/h4-6H,1-3H3,(H,12,13)
InChI Key:
HDKBJZCKLMQKKD-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)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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