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61404-50-0 | 5-ethylpyridazin-3(2H)-one
CAS No: 61404-50-0 Catalog No: AG00EKK1 MDL No:MFCD11520595
Product Description
Catalog Number:
AG00EKK1
Chemical Name:
5-ethylpyridazin-3(2H)-one
CAS Number:
61404-50-0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD11520595
IUPAC Name:
4-ethyl-1H-pyridazin-6-one
InChI:
InChI=1S/C6H8N2O/c1-2-5-3-6(9)8-7-4-5/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
YYAXRXORQWHQRJ-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)[nH]nc1
NSC Number:
300285
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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