Name: Name:1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-methyl ester
Brand: Angene
SKU: AG000N5D
Rating: 90 (10 reviews)

1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-methyl ester

CAS No.:

125097-83-8

Catalog Number:

AG000N5D

Molecular Formula:

C12H19NO4

Molecular Weight:

241.2836

Catalog Number:

AG000N5D

Chemical Name:

1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-methyl ester

CAS Number:

125097-83-8

Molecular Formula:

C12H19NO4

Molecular Weight:

241.2836

MDL Number:

MFCD24465604

IUPAC Name:

1-O-tert-butyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate

InChI:

InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-6-9(8-13)10(14)16-4/h6H,5,7-8H2,1-4H3

InChI Key:

OSEDCXAVONLPOJ-UHFFFAOYSA-N

SMILES:

COC(=O)C1=CCCN(C1)C(=O)OC(C)(C)C

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.287g/mol

Monoisotopic Mass:

241.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4