Home Other Building Blocks 1-phenyloctane-1,3-dione

1-phenyloctane-1,3-dione

CAS No.:
55846-68-9
Catalog Number:
AG01AB0N
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
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Product Description
Catalog Number:
AG01AB0N
Chemical Name:
1-phenyloctane-1,3-dione
CAS Number:
55846-68-9
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
MDL Number:
MFCD11178609
IUPAC Name:
1-phenyloctane-1,3-dione
InChI:
InChI=1S/C14H18O2/c1-2-3-5-10-13(15)11-14(16)12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
InChI Key:
KZMBNCLCSWGJDK-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)CC(=O)c1ccccc1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties