4-Methoxybutyl Acetate

CAT: 0024-sc-472414Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-472414Size:1 g

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CAS Number

15057-11-1

Chemical Information

4-Methoxybutyl Acetate

CAS Number	15057-11-1
PubChem CID	21903822
IUPAC Name	4-methoxybutyl acetate
Molecular Formula	C7H14O3
Molecular Weight	146.18
XLogP	1.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	90

SMILES

CC(=O)OCCCCOC

InChI

InChI=1S/C7H14O3/c1-7(8)10-6-4-3-5-9-2/h3-6H2,1-2H3

InChIKey

LMLBDDCTBHGHEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15057-11-1

CID: 21903822

Formula: C7H14O3

MW: 146.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.18
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	146.094294304
Monoisotopic Mass	146.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.9
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-472407	2-Methoxybutyl Acetate
sc-472184	3-Methoxybutyl Acetate
sc-356214A	1- (4-Methoxybutyl) piperazine
sc-356214	1- (4-Methoxybutyl) piperazine
sc-487888	3-Methoxybutyl Thioglycolate
sc-486284	3-Methoxybutyl 3-Mercaptopropionate
sc-484824	2- (1-Methoxybutyl) benzofuran
sc-497145	5-[1- (Diphenylmethyl) -1-methoxybutyl]-1H-imidazole
sc-232595	4-Chlorobutyl acetate
sc-232590	4-Chlorobenzyl acetate