Home Carboxys 3-tert-butylpyridine-2-carboxylic acid

3-tert-butylpyridine-2-carboxylic acid

CAS No.:
1211584-45-0
Catalog Number:
AG01C55I
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG01C55I
Chemical Name:
3-tert-butylpyridine-2-carboxylic acid
CAS Number:
1211584-45-0
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD18254135
IUPAC Name:
3-tert-butylpyridine-2-carboxylic acid
InChI:
InChI=1S/C10H13NO2/c1-10(2,3)7-5-4-6-11-8(7)9(12)13/h4-6H,1-3H3,(H,12,13)
InChI Key:
MYWYWSXWJWFNLI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncccc1C(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  
Properties