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126114-09-8 | 1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 126114-09-8 Catalog No: AG000RNE MDL No:MFCD24394491
Product Description
Catalog Number:
AG000RNE
Chemical Name:
1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
126114-09-8
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD24394491
IUPAC Name:
1-O-tert-butyl 5-O-ethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
InChI:
InChI=1S/C13H21NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h7H,5-6,8-9H2,1-4H3
InChI Key:
IVNUBOCYWQLYLA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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