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79794-86-8 | 1-Pentanone, 1,1'-(1,3-phenylene)bis-
CAS No: 79794-86-8 Catalog No: AG005H8R MDL No:
Product Description
Catalog Number:
AG005H8R
Chemical Name:
1-Pentanone, 1,1'-(1,3-phenylene)bis-
CAS Number:
79794-86-8
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
IUPAC Name:
1-(3-pentanoylphenyl)pentan-1-one
InChI:
InChI=1S/C16H22O2/c1-3-5-10-15(17)13-8-7-9-14(12-13)16(18)11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
InChI Key:
POLFVVRFDCPKTM-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1cccc(c1)C(=O)CCCC
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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