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880650-10-2 | Oxonium, methyl[4-(2-phenylethylidene)-2,5-cyclohexadien-1-ylidene]-
CAS No: 880650-10-2 Catalog No: AG004EYL MDL No:
Product Description
Catalog Number:
AG004EYL
Chemical Name:
Oxonium, methyl[4-(2-phenylethylidene)-2,5-cyclohexadien-1-ylidene]-
CAS Number:
880650-10-2
Molecular Formula:
C15H15O+
Molecular Weight:
211.2790
IUPAC Name:
methyl-[4-(2-phenylethylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium
InChI:
InChI=1S/C15H15O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,8-12H,7H2,1H3/q+1
InChI Key:
UURSBTKPSWUVTG-UHFFFAOYSA-N
SMILES:
C[O+]=C1C=CC(=CCc2ccccc2)C=C1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.112g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.284g/mol
Monoisotopic Mass:
211.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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