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821016-54-0 | 3H-Pyrazol-3-one, 4-[(dimethylamino)methylene]-2,4-dihydro-, (4E)-
CAS No: 821016-54-0 Catalog No: AG0051IQ MDL No:MFCD00138484
Product Description
Catalog Number:
AG0051IQ
Chemical Name:
3H-Pyrazol-3-one, 4-[(dimethylamino)methylene]-2,4-dihydro-, (4E)-
CAS Number:
821016-54-0
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD00138484
IUPAC Name:
4-(dimethylaminomethylidene)-1H-pyrazol-5-one
InChI:
InChI=1S/C6H9N3O/c1-9(2)4-5-3-7-8-6(5)10/h3-4H,1-2H3,(H,8,10)
InChI Key:
DKNARJWAYOXLPT-UHFFFAOYSA-N
SMILES:
CN(/C=C/1\C=NNC1=O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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