AG01BE4J

Name: 5-Phenylpent-1-yn-3-one
Brand: Angene Chemical
SKU: AG01BE4J

118584-91-1 | 5-Phenylpent-1-yn-3-one

AG01BE4J

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CAS Number	118584-91-1
Catalog Number	AG01BE4J(AGN-PC-004KZK)
Chemical Name	5-Phenylpent-1-yn-3-one
IUPAC Name	5-phenylpent-1-yn-3-one
InChI	InChI=1S/C11H10O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h1,3-7H,8-9H2
InChI Key	JIWISSMZWUSRFY-UHFFFAOYSA-N
MDL Number	MFCD21262984
Molecular Formula	C11H10O
Molecular Weight	158.1965
SMILES	O=C(C#C)CCC1=CC=CC=C1
Synonyms	5-phenylpent-1-yn-3-one, 118584-91-1, 5-Phenyl-1-pentyn-3-one, SCHEMBL2570402, MFCD21262984, ZINC34408147, AKOS014915468, NE37206, AS-55108, A1-02301, Z2491497262, CID11217394,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.073g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.2g/mol
Monoisotopic Mass	158.073g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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