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1215596-93-2 | 5-(4-Aminophenyl)cyclohexane-1,3-dione
CAS No: 1215596-93-2 Catalog No: AG01FCKI MDL No:
Product Description
Catalog Number:
AG01FCKI
Chemical Name:
5-(4-Aminophenyl)cyclohexane-1,3-dione
CAS Number:
1215596-93-2
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
5-(4-aminophenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C12H13NO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7,13H2
InChI Key:
NERQNZIFFMRNEG-UHFFFAOYSA-N
SMILES:
O=C1CC(CC(=O)C1)c1ccc(cc1)N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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