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3-Acetyl-1-propanol

CAT: 0926-FA04138-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FA04138-01Size:100 g
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CAS Number
1071-73-4
Synonyms
5-hydroxy-2-pentanone
MDL Number
MFCD00002961
Smiles
CC (=O) CCCO
Molecular Formula
C5H10O2
Molecular Weight
102.13 g/mol
Controlled
No

Chemical Information

5-Hydroxy-2-pentanone

5-hydroxypentan-2-one is a methyl ketone that is pentan-2-one carrying a hydroxy group at position 5. It has a role as a bacterial metabolite. It is a primary alcohol, a pentanone and a methyl ketone.

CAS Number1071-73-4
PubChem CID14066
IUPAC Name5-hydroxypentan-2-one
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP-0.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity59
SMILES
CC(=O)CCCO
InChI
InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3
InChIKey
JSHPTIGHEWEXRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy-2-pentanone
CAS: 1071-73-4
CID: 14066
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity59.1
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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