2,3-Pyridinedicarboxylic acid, 3-methyl ester


Chemical Name: 2,3-Pyridinedicarboxylic acid, 3-methyl ester
CAS Number: 24195-02-6
Product Number: AG00BCAN(AGN-PC-03GAVJ)
Synonyms:
MDL No:
Molecular Formula: C8H7NO4
Molecular Weight: 181.1455

Identification/Properties


Properties
MP:
106℃
Storage:
2-8℃;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
181.147g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
181.038g/mol
Monoisotopic Mass:
181.038g/mol
Topological Polar Surface Area:
76.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
216
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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