Home Other Building Blocks Phenol, 2-(1-ethylhexyl)-

Phenol, 2-(1-ethylhexyl)-

CAS No.:
17404-44-3
Catalog Number:
AG001ZEK
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
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Product Description
Catalog Number:
AG001ZEK
Chemical Name:
Phenol, 2-(1-ethylhexyl)-
CAS Number:
17404-44-3
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
2-octan-3-ylphenol
InChI:
InChI=1S/C14H22O/c1-3-5-6-9-12(4-2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3
InChI Key:
WBQRXJLVMAWCMN-UHFFFAOYSA-N
SMILES:
CCCCCC(c1ccccc1O)CC
EC Number:
241-426-9
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Properties