3,3-Dimethoxybutan-2-one

CAT: 0127-OR3133-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR3133-01Size:1 g

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CAS Number

21983-72-2

Synonyms

3,3-Dimethoxy-2-oxobutane

MDL Number

MFCD00075266

Purity

97%

Smiles

COC(C)(OC)C(=O)C

Chemical Information

3,3-Dimethoxy-2-butanone

CAS Number	21983-72-2
PubChem CID	140871
IUPAC Name	3,3-dimethoxybutan-2-one
Molecular Formula	C6H12O3
Molecular Weight	132.16
XLogP	0
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

CC(=O)C(C)(OC)OC

InChI

InChI=1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3

InChIKey

UFQBSPGKRRSATO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21983-72-2

CID: 140871

Formula: C6H12O3

MW: 132.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	132.078644241
Monoisotopic Mass	132.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
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
OR59432	4,4-Dimethoxybutan-2-one
OR924280	4,4-Dimethoxybutan-2-ol
OR1029355-01	4,4-Dimethoxybutan-1-Amine
OR1076675	2,3-Dimethoxybutane
PC99167-01	2,2,3,3-Tetrafluoro-1,4-dimethoxybutane
OR27385-01	4- (dimethylamino) -1,1-dimethoxybut-3-en-2-one
OR1049562-01	3,3-Diethoxybutan-2-one
OR75122-01	3,3-Dimethylpiperazin-2-one
OR28613-01	3,3-Dimethylbutan-2-one
PC1006919-01	3,3-Difluoropyrrolidin-2-one

Catalog	Name
HY-W010376-01	3,3-Dimethoxybutan-2-one
18435236	4,4-Dimethoxybutan-2-one
MP07286-01	Phenyl 3,4-O- (2',3'-dimethoxybutan-2',3'-diyl) -a-L-thiorhamnopyranoside
FDD55495-01	3,4-Dimethoxybutan-1-amine hydrochloride
MBS6045030-01	Phenyl 3,4-O-(2,3-Dimethoxybutan-2,3-diyl)-1-thio-a-L-rhamnopyranoside
P4061-50	Phenyl 3,4-O- (2,3-Dimethoxybutan-2,3-diyl) -1-thio-a-L-rhamnopyranoside
sc-219598	Phenyl 3,4-O- (2,3-Dimethoxybutan-2,3-diyl) -1-thio-α-L-rhamnopyranoside
TRC-P319720-250MG	Phenyl 3,4-O-(2,3-Dimethoxybutan-2,3-diyl)-1-thio-Alpha-L-rhamnopyranoside
XHA80356-01	1,4-Dimethoxybutan-2-amine
VWC43728-01	1,1-Dimethoxybutan-2-amine hydrochloride