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82971-16-2 | Benzene, [(1-methylnonyl)oxy]-
CAS No: 82971-16-2 Catalog No: AG004YHB MDL No:
Product Description
Catalog Number:
AG004YHB
Chemical Name:
Benzene, [(1-methylnonyl)oxy]-
CAS Number:
82971-16-2
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
decan-2-yloxybenzene
InChI:
InChI=1S/C16H26O/c1-3-4-5-6-7-9-12-15(2)17-16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
InChI Key:
KXONIMNSDFBFLS-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(Oc1ccccc1)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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