200,000+ products from a single source!
sales@angenechem.com
29212-95-1 | 1H-Pyrazole-3-carboxylic acid, 4-[3-(3-carboxy-1,5-dihydro-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-1-propen-1-yl]-5-hydroxy-1-phenyl-
CAS No: 29212-95-1 Catalog No: AG002XQA MDL No:
Product Description
Catalog Number:
AG002XQA
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-[3-(3-carboxy-1,5-dihydro-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-1-propen-1-yl]-5-hydroxy-1-phenyl-
CAS Number:
29212-95-1
Molecular Formula:
C23H16N4O6
Molecular Weight:
444.3963
IUPAC Name:
4-[3-(5-carboxy-3-oxo-2-phenyl-1H-pyrazol-4-yl)prop-2-enylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C23H16N4O6/c28-20-16(18(22(30)31)24-26(20)14-8-3-1-4-9-14)12-7-13-17-19(23(32)33)25-27(21(17)29)15-10-5-2-6-11-15/h1-13,24H,(H,30,31)(H,32,33)
InChI Key:
YMBGQBIWBPKQBT-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NN(C(=O)C1=CC=Cc1c(nn(c1O)c1ccccc1)C(=O)O)c1ccccc1
EC Number:
249-512-8
Properties
Complexity:
983
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.107g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
444.403g/mol
Monoisotopic Mass:
444.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.