AG01DKKE

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CAS Number	18498-59-4
Catalog Number	AG01DKKE(AGN-PC-00GIKW)
Chemical Name	Pent-4-ynal
IUPAC Name	pent-4-ynal
InChI	InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2
InChI Key	VWYVHZFRBJJWSM-UHFFFAOYSA-N
MDL Number	MFCD11870385
Molecular Formula	C5H6O
Molecular Weight	82.1005
SMILES	C(CCC#C)=O
Synonyms	4-Pentynal, Pent-4-ynal, 18498-59-4, VWYVHZFRBJJWSM-UHFFFAOYSA-N, Pent-4-ynal (in dcm 30% w/w), MFCD11870385, ZINC36447710, AKOS011895895, CID11804674,

Complexity	75.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	82.042g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	82.102g/mol
Monoisotopic Mass	82.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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