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680972-05-8 | Methanone, (1-ethyl-5-hydroxy-1H-pyrazol-4-yl)-3-pyridinyl- (9CI)
CAS No: 680972-05-8 Catalog No: AG00G1TK MDL No:
Product Description
Catalog Number:
AG00G1TK
Chemical Name:
Methanone, (1-ethyl-5-hydroxy-1H-pyrazol-4-yl)-3-pyridinyl- (9CI)
CAS Number:
680972-05-8
IUPAC Name:
2-ethyl-4-(pyridine-3-carbonyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C11H11N3O2/c1-2-14-11(16)9(7-13-14)10(15)8-4-3-5-12-6-8/h3-7,13H,2H2,1H3
InChI Key:
WDRYXVVAHINSBI-UHFFFAOYSA-N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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