AG00F31X

Name: levulinaldehyde
Brand: Angene Chemical
SKU: AG00F31X

626-96-0 | levulinaldehyde

AG00F31X

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CAS Number	626-96-0
Catalog Number	AG00F31X(AGN-PC-0D8W6D)
Chemical Name	levulinaldehyde
IUPAC Name	4-oxopentanal
InChI	InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3
InChI Key	KEHNRUNQZGRQHU-UHFFFAOYSA-N
MDL Number	MFCD12545900
Molecular Formula	C5H8O2
Molecular Weight	100.1158
SMILES	CC(CCC=O)=O
UNII	BL58BK264G
Synonyms	4-oxopentanal, 4-Oxopentanal, Pentanal, 4-oxo-, 626-96-0, UNII-BL58BK264G, BL58BK264G, Lavulinaldehyd, Levulinaldehyde, 4-oxo-pentanal, 1,4-pentanedione, 2,5-pentanedione, pentane-2,5-dione, AC1L4VAJ, AC1Q6QJK, SCHEMBL301539, CHEBI:87363, CTK2F4346, DTXSID60211655, KEHNRUNQZGRQHU-UHFFFAOYSA-N, ZINC5159518, MFCD12545900, AKOS022632592, ACN-048451, Pentanal,4-oxo-, C5-H8-O2, AR-1G4292, CID164702, 67679-55-4,

Complexity	76.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	100.052g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	100.117g/mol
Monoisotopic Mass	100.052g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 1989

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