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828921-36-4 | 2,5-Cyclohexadien-1-one, 2,6-bis[(dimethylamino)methyl]-4-nitroso-
CAS No: 828921-36-4 Catalog No: AG004RXE MDL No:
Product Description
Catalog Number:
AG004RXE
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-bis[(dimethylamino)methyl]-4-nitroso-
CAS Number:
828921-36-4
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
IUPAC Name:
2,6-bis[(dimethylamino)methyl]-4-nitrosocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C12H19N3O2/c1-14(2)7-9-5-11(13-17)6-10(12(9)16)8-15(3)4/h5-6,11H,7-8H2,1-4H3
InChI Key:
HCTLQZCZDVPGOX-UHFFFAOYSA-N
SMILES:
O=NC1C=C(CN(C)C)C(=O)C(=C1)CN(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.303g/mol
Monoisotopic Mass:
237.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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