Methyl 5-oxopentanoate

CAT: 0127-OR1066505-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1066505-01Size:100 mg

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CAS Number

6026-86-4

MDL Number

MFCD09833062

Purity

97% (stabilized with Citric acid)

Smiles

O=C(OC)CCCC=O

Chemical Information

Pentanoic acid, 5-oxo-, methyl ester

CAS Number	6026-86-4
PubChem CID	554053
IUPAC Name	methyl 5-oxopentanoate
Molecular Formula	C6H10O3
Molecular Weight	130.14
XLogP	0.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	98

SMILES

COC(=O)CCCC=O

InChI

InChI=1S/C6H10O3/c1-9-6(8)4-2-3-5-7/h5H,2-4H2,1H3

InChIKey

YBTZROCKNUIONO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6026-86-4

CID: 554053

Formula: C6H10O3

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.5
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
OR90920-01	Methyl 5-bromo-4-oxopentanoate
PC1007023-01	Methyl 5- (4-fluorophenyl) -5-oxopentanoate
OR1044863-01	Methyl 5-acetamido-4-oxopentanoate
OR1045570-01	Methyl 5- (4-methoxyphenyl) -5-oxopentanoate
OR1048520-01	Methyl 5,5-dimethoxy-3-oxopentanoate
PC250012	Methyl 5,5,5-trifluoro-3-oxopentanoate
OR1922-01	Methyl 5-amino-4-oxopentanoate hydrochloride
OR5113-01	Methyl 3-oxopentanoate
OR95128	Methyl 4,5-diamino-5-oxopentanoate hydrochloride
OR953120-01	Methyl 4-methyl-2-oxopentanoate

Catalog	Name
HY-W614268-01	Methyl 5-oxopentanoate
JH914963	Methyl 5- (dimethylamino) -2-methyl-5-oxopentanoate
RG-E141773-01	Methyl 5-bromo-4-oxopentanoate
455668-01	Methyl 5-Bromo-2-oxopentanoate
DXC59687-01	Methyl 5-chloro-2-oxopentanoate
HY-W010394	Methyl 3-oxopentanoate
QLB21324-01	Methyl 5,5,5-trifluoro-3-oxopentanoate
RG-A263731-01	Methyl 2-methyl-3-oxopentanoate
FM57580-01	Methyl 4-methyl-3-oxopentanoate
HBA81125-01	Methyl 2-methyl-4-oxopentanoate