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FAI 5mg

CAT: 0628-A13746-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A13746-5Size:5 mg
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CAS Number
1415238-77-5

Chemical Information

1H-Imidazol-1-yl(2-methyl-3-furyl)methanone
CAS Number1415238-77-5
PubChem CID66563653
IUPAC Nameimidazol-1-yl-(2-methylfuran-3-yl)methanone
Molecular FormulaC9H8N2O2
Molecular Weight176.17
XLogP1
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity208
SMILES
CC1=C(C=CO1)C(=O)N2C=CN=C2
InChI
InChI=1S/C9H8N2O2/c1-7-8(2-5-13-7)9(12)11-4-3-10-6-11/h2-6H,1H3
InChIKey
OOBPIWAAJBRELM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Imidazol-1-yl(2-methyl-3-furyl)methanone
CAS: 1415238-77-5
CID: 66563653
Formula: C9H8N2O2
MW: 176.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight176.17
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass176.058577502
Monoisotopic Mass176.058577502
Topological Polar Surface Area48 Ų
Heavy Atom Count13
Formal Charge0
Complexity208
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