5-methoxycarbonylpyridine-2-carboxylic acid


Chemical Name: 5-methoxycarbonylpyridine-2-carboxylic acid
CAS Number: 17874-79-2
Product Number: AG00269O(AGN-PC-0JOV9U)
Synonyms:
MDL No: MFCD00179343
Molecular Formula: C8H6NO4-
Molecular Weight: 180.1375

Identification/Properties


Properties
MP:
187 °C
BP:
347.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The chemical structure of 5-methoxycarbonylpyridine-2-carboxylic acid (C8H6NO4^-) can be represented as follows: ``` O- | H-C-C-C=O | | H-C-N-C-COOH | | | H-C-C-C | | H-C-C-H | H ``` Note: The "-COOH" at the end denotes a carboxylic acid group, and the "-COO^-" indicates that it's in its deprotonated (anionic) form.