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72121-34-7 | Isonicotinic acid 2-(pyridine-4-carbonyloxy)-ethyl ester
CAS No: 72121-34-7 Catalog No: AG01F7LK MDL No:MFCD06637712
Product Description
Catalog Number:
AG01F7LK
Chemical Name:
Isonicotinic acid 2-(pyridine-4-carbonyloxy)-ethyl ester
CAS Number:
72121-34-7
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
MDL Number:
MFCD06637712
IUPAC Name:
2-(pyridine-4-carbonyloxy)ethyl pyridine-4-carboxylate
InChI:
InChI=1S/C14H12N2O4/c17-13(11-1-5-15-6-2-11)19-9-10-20-14(18)12-3-7-16-8-4-12/h1-8H,9-10H2
InChI Key:
NGBHSNYNHWOVBX-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)OCCOC(=O)c1ccncc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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