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5-Imidazolecarboxaldehyde

CAT: 0572-TRC-I350220-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I350220-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3034-50-2
Synonyms
1H-Imidazole-5-carboxaldehyde; 1H-Imidazole-4-carboxaldehyde; Imidazole-4(or 5)-carboxaldehyde; Imidazole-4-carboxaldehyde (8CI); 1H-Imidazol-4-carboxaldehyde; 1H-Imidazol-4-ylcarboxaldehyde; 1H-Imidazol-5-carboxaldehyde; 1H-Imidazole-4-carboxaldehyde; 3H-Imidazole-4-carboxaldehyde; 4(5)-Imidazolecarboxaldehyde; 4-Formylimidazole; 5-Imidazolecarboxaldehyde; NSC 400521;
Hazard Statement
Causes skin irritation
Smiles
O=Cc1c[nH]cn1
Molecular Formula
C4H4N2O
Molecular Weight
96.09
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Imidazole-4-carboxaldehyde

structure in first source

CAS Number3034-50-2
PubChem CID76428
IUPAC Name1H-imidazole-5-carbaldehyde
Molecular FormulaC4H4N2O
Molecular Weight96.09
XLogP-0.1
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity74
SMILES
C1=C(NC=N1)C=O
InChI
InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)
InChIKey
ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imidazole-4-carboxaldehyde
CAS: 3034-50-2
CID: 76428
Formula: C4H4N2O
MW: 96.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.09
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass96.032362755
Monoisotopic Mass96.032362755
Topological Polar Surface Area45.8 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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CatalogName
1619295-Imidazolecarboxaldehyde-15N2
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sc-2539371-Methyl-5-imidazolecarboxaldehyde
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