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100971-82-2

100971-82-2 | 1-Butanone, 1,1'-(1,4-phenylene)bis-

CAS No: 100971-82-2 Catalog No: AG0003C4 MDL No:

Product Description

Catalog Number:
AG0003C4
Chemical Name:
1-Butanone, 1,1'-(1,4-phenylene)bis-
CAS Number:
100971-82-2
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
1-(4-butanoylphenyl)butan-1-one
InChI:
InChI=1S/C14H18O2/c1-3-5-13(15)11-7-9-12(10-8-11)14(16)6-4-2/h7-10H,3-6H2,1-2H3
InChI Key:
AURSILZBIUDQGF-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(cc1)C(=O)CCC

Properties

Complexity:
211  
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:
6  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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