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Home > Pyridines > 149029-94-7
149029-94-7 | Pentanedioic acid, 2-ethyl-2-(4-pyridinyl)-, 1,5-dimethyl ester
CAS No: 149029-94-7 Catalog No: AG001LCL MDL No:
Product Description
Catalog Number:
AG001LCL
Chemical Name:
Pentanedioic acid, 2-ethyl-2-(4-pyridinyl)-, 1,5-dimethyl ester
CAS Number:
149029-94-7
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
dimethyl 2-ethyl-2-pyridin-4-ylpentanedioate
InChI:
InChI=1S/C14H19NO4/c1-4-14(13(17)19-3,8-5-12(16)18-2)11-6-9-15-10-7-11/h6-7,9-10H,4-5,8H2,1-3H3
InChI Key:
RTXVPGILWMFMSH-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccncc1)(CCC(=O)OC)CC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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