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88953-31-5 | Phenol, 4-(1-butyldodecyl)-
CAS No: 88953-31-5 Catalog No: AG004708 MDL No:
Product Description
Catalog Number:
AG004708
Chemical Name:
Phenol, 4-(1-butyldodecyl)-
CAS Number:
88953-31-5
Molecular Formula:
C22H38O
Molecular Weight:
318.5365
IUPAC Name:
4-hexadecan-5-ylphenol
InChI:
InChI=1S/C22H38O/c1-3-5-7-8-9-10-11-12-13-15-20(14-6-4-2)21-16-18-22(23)19-17-21/h16-20,23H,3-15H2,1-2H3
InChI Key:
AVMBSPGYDGKKKT-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccc(cc1)O)CCCCCCCCCCC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.292g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.545g/mol
Monoisotopic Mass:
318.292g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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