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4-Hydroxybutan-2-one

CAT: 0013-GTR19255087-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19255087-02Size:5 g
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Description
4-Hydroxybutan-2-one is a ketone widely used in biochemical experiments and drug synthesis research.
CAS Number
590-90-9
Field of Research
Metabolism Research
Smiles
O=C (C) CCO
Molecular Formula
C4H8O2
Molecular Weight
88.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Hydroxy-2-Butanone

4-hydroxybutan-2-one is a beta-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4. It is a methyl ketone and a beta-hydroxy ketone. It is functionally related to a butan-2-one.

CAS Number590-90-9
PubChem CID111509
IUPAC Name4-hydroxybutan-2-one
Molecular FormulaC4H8O2
Molecular Weight88.11
XLogP-0.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity49
SMILES
CC(=O)CCO
InChI
InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
InChIKey
LVSQXDHWDCMMRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-2-Butanone
CAS: 590-90-9
CID: 111509
Formula: C4H8O2
MW: 88.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.11
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass88.052429494
Monoisotopic Mass88.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity49.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FH153648-014-hydroxybutan-2-one
OR1009503-011-Hydroxybutan-2-One
RG-H250499-013-Hydroxybutan-2-One
TRC-F930390-250MG4-(2,2-difluorocyclopropyl)-1-hydroxybutan-2-one
sc-332907A1- (4-fluorophenyl) -4-hydroxybutan-1-one
QCA84981-014- (4-Hydroxybutan-2-yloxy) butan-2-ol
EHA04113-013- (1-Hydroxybutan-2-yl) -2-sulfanyl-3,4-dihydroquinazolin-4-one
RG-E141277-01(R) -N- (4-hydroxybutan-2-yl) acetamide
RG-E140711-01(S) -N- (4-hydroxybutan-2-yl) acetamide
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