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3-Methoxy Iminostilbene

CAT: 0572-TRC-M262655-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M262655-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92483-74-4
Synonyms
3-Methoxy-5H-dibenz[b,f]azepine
Hazard Statement
No Data Available
Smiles
COc1ccc2C=Cc3ccccc3Nc2c1
Molecular Formula
C15H13NO
Molecular Weight
223.27
Shipping Conditions
Room Temperature

Chemical Information

3-Methoxy iminostilbene
CAS Number92483-74-4
PubChem CID11401815
IUPAC Name2-methoxy-11H-benzo[b][1]benzazepine
Molecular FormulaC15H13NO
Molecular Weight223.27
XLogP3.9
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity289
SMILES
COC1=CC2=C(C=CC3=CC=CC=C3N2)C=C1
InChI
InChI=1S/C15H13NO/c1-17-13-9-8-12-7-6-11-4-2-3-5-14(11)16-15(12)10-13/h2-10,16H,1H3
InChIKey
IGUWZDGUWHFXFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy iminostilbene
CAS: 92483-74-4
CID: 11401815
Formula: C15H13NO
MW: 223.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.27
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass223.099714038
Monoisotopic Mass223.099714038
Topological Polar Surface Area21.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity289
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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