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141038-08-6

141038-08-6 | 2,4-Hexanedione, 3-[2-(3-methoxyphenyl)ethyl]-

CAS No: 141038-08-6 Catalog No: AG001FSN MDL No:

Product Description

Catalog Number:
AG001FSN
Chemical Name:
2,4-Hexanedione, 3-[2-(3-methoxyphenyl)ethyl]-
CAS Number:
141038-08-6
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
3-[2-(3-methoxyphenyl)ethyl]hexane-2,4-dione
InChI:
InChI=1S/C15H20O3/c1-4-15(17)14(11(2)16)9-8-12-6-5-7-13(10-12)18-3/h5-7,10,14H,4,8-9H2,1-3H3
InChI Key:
UJQJZNVVZMISBD-UHFFFAOYSA-N
SMILES:
CCC(=O)C(C(=O)C)CCc1cccc(c1)OC

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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