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1807-29-0 | Phenol, 2,4-dioctyl-
CAS No: 1807-29-0 Catalog No: AG00229I MDL No:
Product Description
Catalog Number:
AG00229I
Chemical Name:
Phenol, 2,4-dioctyl-
CAS Number:
1807-29-0
Molecular Formula:
C22H38O
Molecular Weight:
318.5365
IUPAC Name:
2,4-dioctylphenol
InChI:
InChI=1S/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3
InChI Key:
RLMZELPHRPTNJX-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(c(c1)CCCCCCCC)O
EC Number:
217-308-8
UNII:
ZFO60HR2ZH
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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