AG00DJH2

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CAS Number	553-84-4
Catalog Number	AG00DJH2(AGN-PC-0JL8FI)
Chemical Name	Perilla Ketone
IUPAC Name	1-(furan-3-yl)-4-methylpentan-1-one
InChI	InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
InChI Key	LVHLZMUFIYAEQB-UHFFFAOYSA-N
MDL Number	MFCD01939833
Molecular Formula	C10H14O2
Molecular Weight	166.2170
NSC Number	348407
SMILES	CC(C)CCC(=O)c1ccoc1
UNII	CV69S6Y94V
Synonyms	perilla ketone, Perilla ketone, perillaketone, 553-84-4, beta-Furyl isoamyl ketone, Purple mint plant extract, 1-(furan-3-yl)-4-methylpentan-1-one, 1-Pentanone, 1-(3-furanyl)-4-methyl-, 1-(3-Furyl)-4-methyl-1-pentanone, UNII-CV69S6Y94V, 1-(3-Furanyl)-4-methyl-1-pentanone, NSC348407, Purple Mint Plant Isolate, NSC 348407, BRN 0114624, 1-Pentanone, 1-(3-furyl)-4-methyl-, CHEMBL469753, CV69S6Y94V, LVHLZMUFIYAEQB-UHFFFAOYSA-N, AC1L29MJ, 5-17-09-00480 (Beilstein Handbook Reference), SCHEMBL4627614, WLN: T5OJ CV2Y1&1, DTXSID10203828, ZINC1580553, 1-furan-3-yl-4-methylpentan-1-one, BDBM50276352, 1-(3-furyl)-4-methyl-pentan-1-one, AKOS012403470, NE34625, NSC-348407, NCI60_003097, LS-101972, I14-22004, CID68381, C10-H14-O2,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.099g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.22g/mol
Monoisotopic Mass	166.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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