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88953-27-9 | Phenol, 2-(1-butyldodecyl)-
CAS No: 88953-27-9 Catalog No: AG0047TN MDL No:
Product Description
Catalog Number:
AG0047TN
Chemical Name:
Phenol, 2-(1-butyldodecyl)-
CAS Number:
88953-27-9
Molecular Formula:
C22H38O
Molecular Weight:
318.5365
IUPAC Name:
2-hexadecan-5-ylphenol
InChI:
InChI=1S/C22H38O/c1-3-5-7-8-9-10-11-12-13-17-20(16-6-4-2)21-18-14-15-19-22(21)23/h14-15,18-20,23H,3-13,16-17H2,1-2H3
InChI Key:
JFTPHMZPWBTMFX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(c1ccccc1O)CCCC
Properties
Complexity:
250
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:
9.9
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