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123063-35-4 | 1,2-Benzenediol, 4-nonyl-
CAS No: 123063-35-4 Catalog No: AG000K0A MDL No:
Product Description
Catalog Number:
AG000K0A
Chemical Name:
1,2-Benzenediol, 4-nonyl-
CAS Number:
123063-35-4
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
4-nonylbenzene-1,2-diol
InChI:
InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16)15(17)12-13/h10-12,16-17H,2-9H2,1H3
InChI Key:
KUGKLTLXSSPJLW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(c(c1)O)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Purification and characterization of alkylcatechol 2,3-dioxygenase from butylphenol degradation pathway of Pseudomonas putida MT4. | Journal of bioscience and bioengineering 20071001 |
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