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4-Oxopentyl Acetate

CAT: 0931-TN9563-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9563-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5185-97-7
Target
Others
Related Pathways
Others
Purity
0.9781
Bioactivity
4-Oxopentyl Acetate is an ester compound widely used in biochemical experiments and drug synthesis research.
Smiles
O=C(OCCCC(=O)C)C
Molecular Formula
C7H12O3
Molecular Weight
144.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Pentanone, 5-(acetyloxy)-
CAS Number5185-97-7
PubChem CID21258
IUPAC Name4-oxopentyl acetate
Molecular FormulaC7H12O3
Molecular Weight144.17
XLogP0.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
CC(=O)CCCOC(=O)C
InChI
InChI=1S/C7H12O3/c1-6(8)4-3-5-10-7(2)9/h3-5H2,1-2H3
InChIKey
QYAHGDMPUORRQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Pentanone, 5-(acetyloxy)-
CAS: 5185-97-7
CID: 21258
Formula: C7H12O3
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass144.078644241
Monoisotopic Mass144.078644241
Topological Polar Surface Area43.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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
OR91311-014-Oxopentyl acetate
RG-P022838-013-Chloro-4-Oxopentyl Acetate
GTB54363-013- (Acetylsulfanyl) -4-oxopentyl acetate
RG-E140674-013-hydroxy-4-oxopentyl acetate
OR1074250-013- ((((4-Amino-2-methylpyrimidin-5-yl) methyl) carbamothioyl) thio) -4-oxopentyl acetate
AP KR 0501-01[8-methoxy-9,10-dioxo-2- (3-oxopentyl) anthracen-1-yl] acetate
HY-P10710A-01BMP-4 (acetate)
HY-66004-014-Acetamidophenyl acetate
HY-13443A-01Exendin-4 (acetate)
HY-30267-014-Hydroxyphenyl acetate

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