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26562-79-8 | 1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[[2-(acetyloxy)ethoxy]carbonyl]phenyl]diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
CAS No: 26562-79-8 Catalog No: AG002TOS MDL No:
Product Description
Catalog Number:
AG002TOS
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[[2-(acetyloxy)ethoxy]carbonyl]phenyl]diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
CAS Number:
26562-79-8
Molecular Formula:
C23H22N4O7
Molecular Weight:
466.4434
IUPAC Name:
ethyl 4-[[4-(2-acetyloxyethoxycarbonyl)phenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
InChI:
InChI=1S/C23H22N4O7/c1-3-32-23(31)20-19(21(29)27(26-20)18-7-5-4-6-8-18)25-24-17-11-9-16(10-12-17)22(30)34-14-13-33-15(2)28/h4-12,19H,3,13-14H2,1-2H3
InChI Key:
XRPODAJBSZLQLY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1)C(=O)OCCOC(=O)C)c1ccccc1
EC Number:
247-806-0
Properties
Complexity:
814
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.149g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.45g/mol
Monoisotopic Mass:
466.149g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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