Home Aminos 2-((Dimethylamino)methylene)cyclohexane-1,3-dione

2-((Dimethylamino)methylene)cyclohexane-1,3-dione

CAS No.:
85302-07-4
Catalog Number:
AG004PL8
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG004PL8
Chemical Name:
2-((Dimethylamino)methylene)cyclohexane-1,3-dione
CAS Number:
85302-07-4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00172118
IUPAC Name:
2-(dimethylaminomethylidene)cyclohexane-1,3-dione
InChI:
InChI=1S/C9H13NO2/c1-10(2)6-7-8(11)4-3-5-9(7)12/h6H,3-5H2,1-2H3
InChI Key:
USUMAAZJCOVPIN-UHFFFAOYSA-N
SMILES:
CN(C=C1C(=O)CCCC1=O)C
NSC Number:
620164
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties