AG00EFNA

Name: Rapanone
Brand: Angene Chemical
SKU: AG00EFNA

573-40-0 | Rapanone

AG00EFNA

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CAS Number	573-40-0
Catalog Number	AG00EFNA(AGN-PC-0JLCBP)
Chemical Name	Rapanone
IUPAC Name	2,5-dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3
InChI Key	AMKNOBHCKRZHIO-UHFFFAOYSA-N
MDL Number	MFCD00075883
Molecular Formula	C19H30O4
Molecular Weight	322.4391
NSC Number	340285
SMILES	CCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
UNII	SH52PPU72X
Synonyms	rapanone, Rapanone, 573-40-0, 2,5-Dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione, CHEBI:8779, 2,5-Dihydroxy-3-tridecyl-[1,4]benzoquinone, UNII-SH52PPU72X, SH52PPU72X, AC1L2P79, 2,5-dihydroxy-3-tridecyl-1,4-benzoquinone, NSC 340285, SureCN2311835, CHEMBL462801, MEGxp0_002021, SCHEMBL2311835, ACon1_001259, DTXSID80205915, BDBM50078848, NSC340285, ZINC38143715, FS-6607, NSC-340285, NCGC00169524-01, C10399, A831401, 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-tridecyl-, 2,5-bis(oxidanyl)-3-tridecyl-cyclohexa-2,5-diene-1,4-dione, C19H30O4, CID100659, C19-H30-O4,

Complexity	460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.214g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	322.445g/mol
Monoisotopic Mass	322.214g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.5

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