200,000+ products from a single source!

sales@angenechem.com

Home > Carboxes > 17880-61-4

17880-61-4

17880-61-4 | 2-Pyridinecarboxylic acid, 5-ethynyl-, methyl ester

CAS No: 17880-61-4 Catalog No: AG0026BU MDL No:MFCD13189756

Product Description

Catalog Number:
AG0026BU
Chemical Name:
2-Pyridinecarboxylic acid, 5-ethynyl-, methyl ester
CAS Number:
17880-61-4
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD13189756
IUPAC Name:
methyl 5-ethynylpyridine-2-carboxylate
InChI:
InChI=1S/C9H7NO2/c1-3-7-4-5-8(10-6-7)9(11)12-2/h1,4-6H,2H3
InChI Key:
PGYCVRHIHIYNBF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cn1)C#C

Properties

Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

© 2019 Angene International Limited. All rights Reserved.