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79356-98-2 | 1(2H)-Pyridinecarboxylic acid, 1,1-dimethylethyl ester
CAS No: 79356-98-2 Catalog No: AG005KAC MDL No:
Product Description
Catalog Number:
AG005KAC
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 1,1-dimethylethyl ester
CAS Number:
79356-98-2
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
tert-butyl 2H-pyridine-1-carboxylate
InChI:
InChI=1S/C10H15NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-7H,8H2,1-3H3
InChI Key:
XTDXZSGSIMLARD-UHFFFAOYSA-N
SMILES:
O=C(N1CC=CC=C1)OC(C)(C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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