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Home > Aldehydes > 131248-67-4
131248-67-4 | Cyclohexanecarboxaldehyde, 2,6-dioxo-4-phenyl-
CAS No: 131248-67-4 Catalog No: AG007373 MDL No:
Product Description
Catalog Number:
AG007373
Chemical Name:
Cyclohexanecarboxaldehyde, 2,6-dioxo-4-phenyl-
CAS Number:
131248-67-4
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
2,6-dioxo-4-phenylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C13H12O3/c14-8-11-12(15)6-10(7-13(11)16)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChI Key:
ZGTZMJDFXLGUAX-UHFFFAOYSA-N
SMILES:
O=CC1C(=O)CC(CC1=O)c1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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