200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1014631-92-5
1014631-92-5 | 1H-Pyrazole-4-carboxylic acid, 1-(4-pyridinyl)-, ethyl ester
CAS No: 1014631-92-5 Catalog No: AG0004JH MDL No:MFCD20275539
Product Description
Catalog Number:
AG0004JH
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-pyridinyl)-, ethyl ester
CAS Number:
1014631-92-5
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD20275539
IUPAC Name:
ethyl 1-pyridin-4-ylpyrazole-4-carboxylate
InChI:
InChI=1S/C11H11N3O2/c1-2-16-11(15)9-7-13-14(8-9)10-3-5-12-6-4-10/h3-8H,2H2,1H3
InChI Key:
KKCJMHAHVWDBID-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)c1ccncc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.