AG003JU3

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COA

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$0.00

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CAS Number	118799-18-1
Catalog Number	AG003JU3(AGN-PC-001KG4)
Chemical Name	3-n-Octylpyrrole
IUPAC Name	3-octyl-1H-pyrrole
InChI	InChI=1S/C12H21N/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11,13H,2-8H2,1H3
InChI Key	WFHVTZRAIPYMMO-UHFFFAOYSA-N
MDL Number	MFCD00191474
Molecular Formula	C12H21N
Molecular Weight	179.3018
SMILES	CCCCCCCCC1=CNC=C1
Synonyms	3-n-Octylpyrrole, 3-octyl-1H-pyrrole, 118799-18-1, 3-Octylpyrrole, 3-octyl-1H-pyrrol, 1H-Pyrrole, 3-octyl-, SCHEMBL152937, ACMC-209a07, CTK0H3146, DTXSID30561119, ZINC2556848, ANW-17237, MFCD00191474, AKOS015839937, ATE0000004, TR-003199, O0241, I14-93170,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.167g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.307g/mol
Monoisotopic Mass	179.167g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited