Home Carboxys 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester

1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester

CAS No.:
203663-26-7
Catalog Number:
AG00292S
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
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Product Description
Catalog Number:
AG00292S
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
203663-26-7
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
tert-butyl 4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h4,13H,5-8H2,1-3H3
InChI Key:
XTXKANSXTANTFE-UHFFFAOYSA-N
SMILES:
OCC1=CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties