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17874-78-1

17874-78-1 | 2,5-Pyridinedicarboxylic acid, 2-ethyl ester

CAS No: 17874-78-1 Catalog No: AG00269P MDL No:MFCD09607895

Product Description

Catalog Number:
AG00269P
Chemical Name:
2,5-Pyridinedicarboxylic acid, 2-ethyl ester
CAS Number:
17874-78-1
Molecular Formula:
C9H8NO4-
Molecular Weight:
194.1641
MDL Number:
MFCD09607895
IUPAC Name:
6-ethoxycarbonylpyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c1-2-14-9(13)7-4-3-6(5-10-7)8(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
WCLCDQBGCADVSY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cn1)C(=O)[O-]

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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