AG0032KM

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CAS Number	495-71-6
Catalog Number	AG0032KM(AGN-PC-0JMOSH)
Chemical Name	1,4-Diphenylbutane-1,4-dione
IUPAC Name	1,4-diphenylbutane-1,4-dione
InChI	InChI=1S/C16H14O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key	OSWWFLDIIGGSJV-UHFFFAOYSA-N
MDL Number	MFCD00037818
Molecular Formula	C16H14O2
Molecular Weight	238.2812
NSC Number	402168
SMILES	C1(=CC=CC=C1)C(CCC(=O)C1=CC=CC=C1)=O
Synonyms	1,2-Dibenzoylethane, 495-71-6, 1,4-diphenylbutane-1,4-dione, 1,4-Diphenyl-1,4-butanedione, 1,4-Butanedione, 1,4-diphenyl-, Biphenacyl, Diphenacyl, 2,2''-Biacetophenone, OSWWFLDIIGGSJV-UHFFFAOYSA-N, MFCD00037818, FR-0915, NSC402168, 3-Benzoyl propiophenone, ACMC-1BD9F, Ethane, 1,2-dibenzoyl-, Succinophenone (Diphenacyl), AC1Q5H3R, Cambridge id 5102527, Oprea1_385312, CBDivE_002049, SCHEMBL719034, 1,4-Diphenyl-1,4-butadione, 1,4-dipheny-1,4-butanedione, 1,4-Dioxo-1,4-diphenylbutane, 1,4-diphenyl-butane-1,4-dione, DTXSID30197811, HMS1577I15, ZINC161099, AC1L3893, ALBB-026437, ZX-AN024949, ACM495716, ANW-30791, SBB008126, STK328100, AKOS004907792, CD-1556, MCULE-1009799815, NSC 402168, NSC-402168, RTR-017821, TRA0057804, KS-0000160V, AJ-15667, AK140516, AN-45301, AS-10094, AB0078019, AX8053140, DB-080884, ST2403012, TR-017821, D3179, FT-0606339, ST50408014, X-3054, 495D716, A827751, C-48386, I14-4689, Dibenzoylethane, 1, 1,4-diphenyl-, 3-BENZOYLPROPIOPHENONE, 1,2-Dibenzoylethane, 98% 1g, CID136322, 66952-39-4,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.099g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.286g/mol
Monoisotopic Mass	238.099g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Product Recommendations

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