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116374-97-1 | Phenol, 2,6-dipentyl-
CAS No: 116374-97-1 Catalog No: AG000CCL MDL No:
Product Description
Catalog Number:
AG000CCL
Chemical Name:
Phenol, 2,6-dipentyl-
CAS Number:
116374-97-1
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
2,6-dipentylphenol
InChI:
InChI=1S/C16H26O/c1-3-5-7-10-14-12-9-13-15(16(14)17)11-8-6-4-2/h9,12-13,17H,3-8,10-11H2,1-2H3
InChI Key:
PNRMMCVPSJQXMP-UHFFFAOYSA-N
SMILES:
CCCCCc1cccc(c1O)CCCCC
Properties
Complexity:
160
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:
1
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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