AG00EAD9

62462-05-9 | 5-Methoxy-3-oxovaleric acid methyl ester

AG00EAD9

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CAS Number	62462-05-9
Catalog Number	AG00EAD9(AGN-PC-0JSM2G)
Chemical Name	5-Methoxy-3-oxovaleric acid methyl ester
EC Number	263-553-9
IUPAC Name	methyl 5-methoxy-3-oxopentanoate
InChI	InChI=1S/C7H12O4/c1-10-4-3-6(8)5-7(9)11-2/h3-5H2,1-2H3
InChI Key	OPURNNHYTATPKM-UHFFFAOYSA-N
MDL Number	MFCD00042840
Molecular Formula	C7H12O4
Molecular Weight	160.1678
SMILES	O=C(CC(OC)=O)CCOC
Synonyms	62462-05-9, Methyl 5-methoxy-3-oxovalerate, Methyl 5-methoxy-3-oxopentanoate, 5-Methoxy-3-oxovaleric Acid Methyl Ester, 3-Keto-5-methoxyvaleric Acid Methyl Ester, 5-methoxy-3-oxo-pentanoic acid methyl ester, OPURNNHYTATPKM-UHFFFAOYSA-N, AK-78860, Pentanoic acid, 5-methoxy-3-oxo-, methyl ester, Nazarov reagent, EINECS 263-553-9, AC1LBUI6, ACMC-209n3z, SCHEMBL294521, Methyl5-Methoxy-3-oxovalerate, Methyl-5-methoxy-3-oxovalerate, CTK2F8963, Methyl 3-Keto-5-methoxyvalerate, methyl 5-methoxy-3-oxo-valerate, KS-000017LD, ZINC2584403, Methyl 5-methoxy-3-oxopentanoate #, ANW-34221, MFCD00042840, RW1245, AKOS015852570, RTC-061669, AJ-43435, MFCD00042840 (tech. 80%), SC-27463, SY003567, 5-methoxy-3-oxopentanoic acid methyl ester, AX8104520, DB-007075, methyl 5-methoxy-3-oxidanylidene-pentanoate, TC-061669, FT-0081158, FT-0600342, M0812, 19406-EP2295411A1, 19406-EP2314576A1, A833785, C-48149, I14-17652, Methyl 5-methoxy-3-oxovalerate, technical, >=85% (GC), C7-H12-O4, CID542416,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.169g/mol
Monoisotopic Mass	160.074g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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