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2189-60-8 | Octylbenzene
CAS No: 2189-60-8 Catalog No: AG003TH3 MDL No:MFCD00009564
Product Description
Catalog Number:
AG003TH3
Chemical Name:
Octylbenzene
CAS Number:
2189-60-8
Molecular Formula:
C14H22
Molecular Weight:
190.3245
MDL Number:
MFCD00009564
IUPAC Name:
octylbenzene
InChI:
InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChI Key:
CDKDZKXSXLNROY-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccccc1
EC Number:
218-582-1
UNII:
P5EAX722SI
NSC Number:
404115
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.172g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.33g/mol
Monoisotopic Mass:
190.172g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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