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119747-98-7 | Phenol, 4-(2-ethylbutyl)-
CAS No: 119747-98-7 Catalog No: AG000PLY MDL No:
Product Description
Catalog Number:
AG000PLY
Chemical Name:
Phenol, 4-(2-ethylbutyl)-
CAS Number:
119747-98-7
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
4-(2-ethylbutyl)phenol
InChI:
InChI=1S/C12H18O/c1-3-10(4-2)9-11-5-7-12(13)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3
InChI Key:
UKJWAHQMLOLAJT-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccc(cc1)O)CC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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