CAS 230613-81-7 | Dodecanoic acid, 12-(4-nitrophenoxy)- | CAS Number 230613-81-7

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230613-81-7 | Dodecanoic acid, 12-(4-nitrophenoxy)-

CAS No: 230613-81-7 Catalog No: AG002M2K MDL No:

Product Description

Catalog Number:

AG002M2K

Chemical Name:

Dodecanoic acid, 12-(4-nitrophenoxy)-

CAS Number:

230613-81-7

Molecular Formula:

C18H27NO5

Molecular Weight:

337.4107

IUPAC Name:

12-(4-nitrophenoxy)dodecanoic acid

InChI:

InChI=1S/C18H27NO5/c20-18(21)10-8-6-4-2-1-3-5-7-9-15-24-17-13-11-16(12-14-17)19(22)23/h11-14H,1-10,15H2,(H,20,21)

InChI Key:

SVQZCSVOBTWEFB-UHFFFAOYSA-N

SMILES:

OC(=O)CCCCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

348

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

337.189g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

337.416g/mol

Monoisotopic Mass:

337.189g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.1

Literature

Title	Journal
DNA-mediated assembly of cytochrome P450 BM3 subdomains.	Journal of the American Chemical Society 20111012
Laboratory evolution of P450 BM3 for mediated electron transfer yielding an activity-improved and reductase-independent variant.	Protein engineering, design & selection : PEDS 20080101
Construction of a thermostable cytochrome P450 chimera derived from self-sufficient mesophilic parents.	Applied microbiology and biotechnology 20070701
Structure-guided recombination creates an artificial family of cytochromes P450.	PLoS biology 20060501
Expression, purification and characterization of cytochrome P450 Biol: a novel P450 involved in biotin synthesis in Bacillus subtilis.	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20010601
Critical role of the residue size at position 87 in H2O2- dependent substrate hydroxylation activity and H2O2 inactivation of cytochrome P450BM-3.	Biochemical and biophysical research communications 20010209
Rational evolution of a medium chain-specific cytochrome P-450 BM-3 variant.	Biochimica et biophysica acta 20010209