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23582-65-2 | 1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-1-phenyl-
CAS No: 23582-65-2 Catalog No: AG002NRV MDL No:
Product Description
Catalog Number:
AG002NRV
Chemical Name:
1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-1-phenyl-
CAS Number:
23582-65-2
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetic acid
InChI:
InChI=1S/C11H10N2O3/c14-10-6-8(7-11(15)16)12-13(10)9-4-2-1-3-5-9/h1-5H,6-7H2,(H,15,16)
InChI Key:
QXSQBIQWTUTARS-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=NN(C(=O)C1)c1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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