5-Methoxy-3-oxovaleric acid methyl ester

CAT: 0127-OR952690-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR952690-01Size:100 mg

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CAS Number

62462-05-9

MDL Number

MFCD00042840

Purity

97%

Smiles

COCCC(=O)CC(=O)OC

Chemical Information

Methyl 5-methoxy-3-oxopentanoate

CAS Number	62462-05-9
PubChem CID	542416
IUPAC Name	methyl 5-methoxy-3-oxopentanoate
Molecular Formula	C7H12O4
Molecular Weight	160.17
XLogP	-0.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	141

SMILES

COCCC(=O)CC(=O)OC

InChI

InChI=1S/C7H12O4/c1-10-4-3-6(8)5-7(9)11-2/h3-5H2,1-2H3

InChIKey

OPURNNHYTATPKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62462-05-9

CID: 542416

Formula: C7H12O4

MW: 160.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.17
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	160.07355886
Monoisotopic Mass	160.07355886
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR911420	3-Methyl-2-oxovaleric acid
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PC1022459	4-Fluoro-3-methoxy-5-methylbenzoic acid methyl ester
OR907051-01	3-Borono-5-methoxy-benzoic acid,1-methyl ester

Catalog	Name
BNB88524-01	5- (3-Methoxy-4-methylphenyl) -3-methyl-5-oxovaleric acid
GTR19167163-01	3-Methyl-2-oxovaleric acid
FM157432-01	(±) -3-Methyl-2-oxovaleric acid
sc-323337	5- (3,4-Difluorophenyl) -3-methyl-5-oxovaleric acid
sc-336703	5- (4-Fluorophenyl) -3-methyl-5-oxovaleric acid
418567-01	2-Methoxy-3,5-dinitrobenzoic Acid Methyl Ester
418588-01	2-Methoxy-5-methyl-β-phenylbenzenepropanoic Acid Methyl Ester
TXB-00011-01	3-Methyl-2-oxovaleric acid sodium
HY-113063R-01	3-Methyl-2-oxovaleric acid (Standard)
HY-W017386-01	3-Methyl-2-oxovaleric acid (sodium)