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1781-33-5 | 3H-Pyrazol-3-one, 4-diazo-2,4-dihydro-5-methyl-2-phenyl-
CAS No: 1781-33-5 Catalog No: AG0025RF MDL No:
Product Description
Catalog Number:
AG0025RF
Chemical Name:
3H-Pyrazol-3-one, 4-diazo-2,4-dihydro-5-methyl-2-phenyl-
CAS Number:
1781-33-5
Molecular Formula:
C10H8N4O
Molecular Weight:
200.1967
IUPAC Name:
4-diazonio-5-methyl-2-phenylpyrazol-3-olate
InChI:
InChI=1S/C10H8N4O/c1-7-9(12-11)10(15)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
HCNUVPLRPLRUAW-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C(=NN(C1=O)c1ccccc1)C
NSC Number:
348886
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.201g/mol
Monoisotopic Mass:
200.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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