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5-Isoxazolecarbaldehyde

CAT: 0572-TRC-I918105-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I918105-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16401-14-2
Hazard Statement
No Data Available
Smiles
O=Cc1oncc1
Molecular Formula
C4 H3 N O2
Molecular Weight
97.072
InChI
InChI=1S/C4H3NO2/c6-3-4-1-2-5-7-4/h1-3H
Additionnal Information
IUPAC name: 1,2-oxazole-5-carbaldehyde
Shipping Conditions
Room Temperature

Chemical Information

1,2-Oxazole-5-carbaldehyde
CAS Number16401-14-2
PubChem CID21817604
IUPAC Name1,2-oxazole-5-carbaldehyde
Molecular FormulaC4H3NO2
Molecular Weight97.07
XLogP0.2
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity74
SMILES
C1=C(ON=C1)C=O
InChI
InChI=1S/C4H3NO2/c6-3-4-1-2-5-7-4/h1-3H
InChIKey
GSIPOZWLYGLXDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Oxazole-5-carbaldehyde
CAS: 16401-14-2
CID: 21817604
Formula: C4H3NO2
MW: 97.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight97.07
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass97.016378338
Monoisotopic Mass97.016378338
Topological Polar Surface Area43.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity74.1
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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