Methyl 4-methoxybutyrate

CAT: 0024-sc-235776Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-235776Size:25 mL

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CAS Number

29006-01-7

Chemical Information

Methyl 4-methoxybutanoate

Methyl 4-methoxybutanoate has been reported in Peristeria elata with data available.

CAS Number	29006-01-7
PubChem CID	542317
IUPAC Name	methyl 4-methoxybutanoate
Molecular Formula	C6H12O3
Molecular Weight	132.16
XLogP	0.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	80

SMILES

COCCCC(=O)OC

InChI

InChI=1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3

InChIKey

VHDGWXQBVWAMJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29006-01-7

CID: 542317

Formula: C6H12O3

MW: 132.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	132.078644241
Monoisotopic Mass	132.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.4
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
sc-228548	Methyl 4-methyl-4-nitropentanoate
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate
sc-315190	4-[ (3-Methyl-4-nitrophenoxy) methyl]piperidine
sc-232344	4-[ (4-Methyl-1-piperazinyl) methyl]benzylamine
sc-263653	Methyl 4,4,4-trifluorocrotonate
sc-263652	Methyl 4,4,4-trifluorobutyrate
sc-277507	4-Methyl-4-octanol
sc-486287	4-Methyl-4-nitrovaleraldehyde
sc-277506	4-Methyl-4-nonanol
sc-235783	Methyl 4,4-dimethoxybutyrate

Catalog	Name
OR940897-01	Methyl 4-methyl-4-nitropentanoate
OR1013824-01	Methyl 4- ((4-Formylphenoxy) Methyl) Benzoate
ZMA54487-01	Methyl 4-[ (4-nitrophenoxy) methyl]benzoate
OR1092028	Methyl 4-methyl-α-oxobenzeneacetate
GRA47062-01	Methyl 4-[ (4-bromophenoxy) methyl]benzoate
XPD10566-01	4-Methyl-4-[ (methylsulfanyl) methyl]piperidine
PC1021811-01	Methyl 4- ((4-fluorophenoxy) methyl) benzoate
016395	4-[ (4-Methoxyphenyl) methyl]-4-methyl-2-phenyl-
MBS6046722-01	4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-
VLB48281-01	Methyl ({4-[ (morpholin-4-yl) methyl]phenyl}methyl) amine