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1,3-Dioxolane-2-butanal

CAT: 0572-TRC-D486530-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D486530-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16776-90-2
Hazard Statement
No Data Available
Smiles
O=CCCCC1OCCO1
Molecular Formula
C7 H12 O3
Molecular Weight
144.168
InChI
InChI=1S/C7H12O3/c8-4-2-1-3-7-9-5-6-10-7/h4,7H,1-3,5-6H2
Additionnal Information
IUPAC name: 4-(1,3-dioxolan-2-yl)butanal
Shipping Conditions
Room Temperature

Chemical Information

4-(1,3-Dioxolan-2-yl)butanal
CAS Number16776-90-2
PubChem CID10154115
IUPAC Name4-(1,3-dioxolan-2-yl)butanal
Molecular FormulaC7H12O3
Molecular Weight144.17
XLogP0
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
C1COC(O1)CCCC=O
InChI
InChI=1S/C7H12O3/c8-4-2-1-3-7-9-5-6-10-7/h4,7H,1-3,5-6H2
InChIKey
NEROWICBJPSXRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(1,3-Dioxolan-2-yl)butanal
CAS: 16776-90-2
CID: 10154115
Formula: C7H12O3
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass144.078644241
Monoisotopic Mass144.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity97
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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CatalogName
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TRC-A848965-250MG2-(2-Azidoethyl)-1,3-dioxolane
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TRC-B701005-100MG2-(3-Bromopropyl)-1,3-dioxolane
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TRC-T896590-2.5G2,2,4-Trimethyl-1,3-dioxolane
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Alternative Products

CatalogName
O8238-302-[3-Oxo-3- (3-pyridyl) propyl]-1,3-dioxolane (4-Oxo-4- (3-pyridyl) -butanal Monoethyleneglycol Acetal)
sc-3138694- (1,3-Dioxolan-2-yl) butanal
OR1045694-014- (1,3-Dioxoisoindolin-2-yl) butanal
MBS6062597-012-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane (4-Oxo-4-(3-pyridyl)-butanal Monoethyleneglycol Acetal)
RG-B181558-012- (Bromomethyl) -1,3-Dioxolane
abx185083-012-Phenyl-1,3-Dioxolane
sc-357565A2-Phenoxymethyl-[1,3]dioxolane
abx1881522-(Aminomethyl)-1,3-Dioxolane
sc-4715792- (Aminomethyl) -1,3-dioxolane
JH2730684- (1,3-dioxoisoindol-2-yl) butanal

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