AG00ECP8

6290-50-2 | 1-METHOXY-2,4-PENTANDIONE

AG00ECP8

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CAS Number	6290-50-2
Catalog Number	AG00ECP8(AGN-PC-0JNB2W)
Chemical Name	1-METHOXY-2,4-PENTANDIONE
IUPAC Name	1-methoxypentane-2,4-dione
InChI	InChI=1S/C6H10O3/c1-5(7)3-6(8)4-9-2/h3-4H2,1-2H3
InChI Key	RZCMFVQMQKCVEN-UHFFFAOYSA-N
MDL Number	MFCD14702872
Molecular Formula	C6H10O3
Molecular Weight	130.1418
NSC Number	6703
SMILES	CC(CC(COC)=O)=O
Synonyms	1-methoxypentane-2,4-dione, 6290-50-2, 2,4-Pentanedione,1-methoxy-, 1-METHOXY-2,4-PENTANDIONE, 1-methoxy-2,4-pentanedione, 2,4-Pentanedione, 1-methoxy-, Methoxyacetylaceton, NSC6703, methoxyacetylacetone, AC1L5APY, AC1Q5CEJ, SCHEMBL651636, CTK5B6626, 1-(methyloxy)-2,4-pentanedione, RZCMFVQMQKCVEN-UHFFFAOYSA-N, ALBB-028826, NSC-6703, ZINC4353401, ANW-45777, MFCD14702872, AKOS006334478, MCULE-8600900987, AJ-50850, ST2415383, TC-134522, FT-0754612, W7487, C6H10O3, AR-1C4282, CID221734, 2-Penten-4-one, 2-hydroxy-5-methoxy-, L-1849, 6952-35-8,

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	130.143g/mol
Monoisotopic Mass	130.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number