AG003EMI

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COA

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CAS Number	25870-62-6
Catalog Number	AG003EMI(AGN-PC-0JKMZO)
Chemical Name	1-Phenylhexan-2-one
EC Number	247-306-2
IUPAC Name	1-phenylhexan-2-one
InChI	InChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChI Key	DYQAZJQDLPPHNB-UHFFFAOYSA-N
MDL Number	MFCD00027240
Molecular Formula	C12H16O
Molecular Weight	176.2548
NSC Number	15336
SMILES	CCCCC(CC1=CC=CC=C1)=O
Synonyms	1-Phenylhexan-2-one, 1-PHENYL-2-HEXANONE, 25870-62-6, Benzyl Butyl Ketone, Benzyl n-butyl ketone, 2-Hexanone, 1-phenyl-, DYQAZJQDLPPHNB-UHFFFAOYSA-N, MFCD00027240, phenyl hexanone, BenzylButylKetone, NSC15336, EINECS 247-306-2, 1-phenyl-2 -hexanone, 1-phenyl-hexan-2-one, ACMC-209gmx, AI3-24765, AC1L1P4N, AC1Q2V6T, SCHEMBL330291, DTXSID7052490, CTK1A7233, DYQAZJQDLPPHNB-UHFFFAOYSA-, KS-000016MM, ZINC1706893, 2160AB, ANW-25831, NSC-15336, AKOS009157724, MCULE-3101369672, ACM25870626, AJ-30672, CC-04974, CJ-28885, AX8060145, DB-046784, TC-114576, FT-0608235, ST50406839, 870P626, C-06160, I14-108304, InChI=1/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3, C12H16O, CID33191, C12-H16-O, B1030, 7492-44-6,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.12g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.259g/mol
Monoisotopic Mass	176.12g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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