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87842-95-3 | 2,4-Cyclohexadien-1-one, 6-diazo-4-methyl-
CAS No: 87842-95-3 Catalog No: AG004GZG MDL No:
Product Description
Catalog Number:
AG004GZG
Chemical Name:
2,4-Cyclohexadien-1-one, 6-diazo-4-methyl-
CAS Number:
87842-95-3
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
IUPAC Name:
2-diazonio-4-methylphenolate
InChI:
InChI=1S/C7H6N2O/c1-5-2-3-7(10)6(4-5)9-8/h2-4H,1H3
InChI Key:
AWMLZDXFFPQIGE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=C(C)C=CC1=O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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