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208245-73-2 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-methyl-, 1,1-dimethylethyl ester
CAS No: 208245-73-2 Catalog No: AG002JLM MDL No:MFCD26959125
Product Description
Catalog Number:
AG002JLM
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-methyl-, 1,1-dimethylethyl ester
CAS Number:
208245-73-2
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
MDL Number:
MFCD26959125
IUPAC Name:
tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h5H,6-8H2,1-4H3
InChI Key:
UPUZWYFQRARJNC-UHFFFAOYSA-N
SMILES:
CC1=CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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