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71965-20-3 | Phenol,2,4-dibutyl-6-ethyl-
CAS No: 71965-20-3 Catalog No: AG005EDP MDL No:
Product Description
Catalog Number:
AG005EDP
Chemical Name:
Phenol,2,4-dibutyl-6-ethyl-
CAS Number:
71965-20-3
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
2,4-dibutyl-6-ethylphenol
InChI:
InChI=1S/C16H26O/c1-4-7-9-13-11-14(6-3)16(17)15(12-13)10-8-5-2/h11-12,17H,4-10H2,1-3H3
InChI Key:
DEOKRBNRSCUFEP-UHFFFAOYSA-N
SMILES:
CCCCc1cc(CCCC)c(c(c1)CC)O
EC Number:
276-239-1
Properties
Complexity:
190
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:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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