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137-99-5 | Phenol, 2,4-dinonyl-
CAS No: 137-99-5 Catalog No: AG0012P1 MDL No:MFCD00053301
Product Description
Catalog Number:
AG0012P1
Chemical Name:
Phenol, 2,4-dinonyl-
CAS Number:
137-99-5
Molecular Formula:
C24H42O
Molecular Weight:
346.5897
MDL Number:
MFCD00053301
IUPAC Name:
2,4-di(nonyl)phenol
InChI:
InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3
InChI Key:
FDAJTLLBHNHECW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(c(c1)CCCCCCCCC)O
EC Number:
205-310-1
UNII:
927XE902HL
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.324g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.599g/mol
Monoisotopic Mass:
346.324g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
Literature
| Title | Journal |
|---|---|
| Interactions between estrogen- and Ah-receptor signalling pathways in primary culture of salmon hepatocytes exposed to nonylphenol and 3,3',4,4'-tetrachlorobiphenyl (congener 77). | Comparative hepatology 20070101 |
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