AG003NSE

6641-83-4 | alpha-Methyllevulinic Acid

AG003NSE

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CAS Number	6641-83-4
Catalog Number	AG003NSE(AGN-PC-07ACR6)
Chemical Name	alpha-Methyllevulinic Acid
IUPAC Name	2-methyl-4-oxopentanoic acid
InChI	InChI=1S/C6H10O3/c1-4(6(8)9)3-5(2)7/h4H,3H2,1-2H3,(H,8,9)
InChI Key	UZTJTTKEYGHTNM-UHFFFAOYSA-N
MDL Number	MFCD00143584
Molecular Formula	C6H10O3
Molecular Weight	130.1418
NSC Number	15757
SMILES	CC(CC(C)C(O)=O)=O
Synonyms	2-Methyl-4-oxopentanoic acid, 6641-83-4, alpha-Methyllevulinic acid, Pentanoic acid, 2-methyl-4-oxo-, 2-methyl-4-oxo-pentanoic acid, EC-000.1624, methyllevulinic acid, NSC15757, ACMC-209nvh, AC1L5EDK, AC1Q1QXI, AC1Q5CFX, alpha - Methyllevulinic acid, SCHEMBL599696, 2-Methyl-4-oxopentanoic acid #, CTK2F8009, DTXSID10280179, UZTJTTKEYGHTNM-UHFFFAOYSA-N, alpha-methyl-gamma-ketovaleric acid, alpha-Methyllevulinic Acid , 98%, 7660AE, ANW-35211, MFCD00143584, NSC-15757, SBB053608, AKOS009158438, PB27433, AS-50396, 2-Methyl-4-oxopentanoic acid, AldrichCPR, RT-001402, CS-0054789, FT-0691781, M1058, Q-1095, ALPHA-METHYLLEVULINICACID, C6H10O3, AR-1E3686, CID225902, 76833-34-6,

Complexity	128
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	1
Isotope Atom Count	0
Molecular Weight	130.143g/mol
Monoisotopic Mass	130.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number