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  • 10-Methoxyiminostilbene
Name:10-Methoxyiminostilbene
CAS No:4698-11-7

PRODUCT DESCRIPTION

【Name】
10-Methoxyiminostilbene
【Iupac name】
5-methoxy-11H-benzo[b][1]benzazepine
【CAS Registry number】
4698-11-7
【Synonyms】
10-Oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
10-Methoxy-5H-dibenz(b,f)azepine
【EINECS(EC#)】
225-172-6
【Molecular Formula】
C15H13NO (Products with the same molecular formula)
【Molecular Weight】
223.27
【Inchi】
InChI=1/C15H13NO/c1-17-15-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15/h2-10,16H,1H3
【Canonical SMILES】
COC1=CC2=CC=CC=C2NC3=CC=CC=C31
【MOL File】
4698-11-7.mol

Chemical and Physical Properties

【Appearance】
Bright yellow crystalline powder
【Density】
1.19
【Melting Point】
122-128℃
【Boiling Point】
410.8oC at 760 mmHg
【Refractive Index】
1.651
【Flash Point】
162.5oC
【Computed Properties】
Molecular Weight:223.26982 [g/mol]
Molecular Formula:C15H13NO
XLogP3-AA:3.6
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:223.099714
MonoIsotopic Mass:223.099714
Topological Polar Surface Area:21.3
Heavy Atom Count:17
Formal Charge:0
Complexity:299
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

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