200,000+ products from a single source!
sales@angenechem.com
1240061-39-5 | 1H-Pyrazole-3-carboxylic acid, 5-[3-(acetylamino)phenyl]-
CAS No: 1240061-39-5 Catalog No: AG000LEE MDL No:MFCD05864801
Product Description
Catalog Number:
AG000LEE
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-[3-(acetylamino)phenyl]-
CAS Number:
1240061-39-5
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
MDL Number:
MFCD05864801
IUPAC Name:
3-(3-acetamidophenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C12H11N3O3/c1-7(16)13-9-4-2-3-8(5-9)10-6-11(12(17)18)15-14-10/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18)
InChI Key:
IDHZYXZLBDSPDE-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)c1[nH]nc(c1)C(=O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.