Home Carbonyls 4-[4-(2-hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]benzoic acid

4-[4-(2-hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]benzoic acid

CAS No.:
1221725-91-2
Catalog Number:
AG019Y7L
Molecular Formula:
C14H14N2O6
Molecular Weight:
306.2708
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Product Description
Catalog Number:
AG019Y7L
Chemical Name:
4-[4-(2-hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]benzoic acid
CAS Number:
1221725-91-2
Molecular Formula:
C14H14N2O6
Molecular Weight:
306.2708
MDL Number:
MFCD14705686
IUPAC Name:
4-[4-(2-hydroxyethyl)-5-methoxycarbonyl-3-oxo-1H-pyrazol-2-yl]benzoic acid
InChI:
InChI=1S/C14H14N2O6/c1-22-14(21)11-10(6-7-17)12(18)16(15-11)9-4-2-8(3-5-9)13(19)20/h2-5,15,17H,6-7H2,1H3,(H,19,20)
InChI Key:
QIEOWDZGBORLJH-UHFFFAOYSA-N
SMILES:
OCCc1c([nH]n(c1=O)c1ccc(cc1)C(=O)O)C(=O)OC
Properties
Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.085g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
306.274g/mol
Monoisotopic Mass:
306.085g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties