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28983-22-4 | Phenol, 2,4-di-sec-pentyl- (8CI,9CI)
CAS No: 28983-22-4 Catalog No: AG002V3K MDL No:
Product Description
Catalog Number:
AG002V3K
Chemical Name:
Phenol, 2,4-di-sec-pentyl- (8CI,9CI)
CAS Number:
28983-22-4
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
2,4-di(pentan-2-yl)phenol
InChI:
InChI=1S/C16H26O/c1-5-7-12(3)14-9-10-16(17)15(11-14)13(4)8-6-2/h9-13,17H,5-8H2,1-4H3
InChI Key:
QEVQVYGCTVKSER-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(c(c1)C(CCC)C)O)C
Properties
Complexity:
202
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:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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