200,000+ products from a single source!
sales@angenechem.com
125097-83-8 | 1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 125097-83-8 Catalog No: AG000N5D MDL No:MFCD24465604
Product Description
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
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.