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797775-90-7 | Benzeneacetonitrile,4-methyl-a-[(5-methyl-2-furanyl)methylene]-
CAS No: 797775-90-7 Catalog No: AG005HDK MDL No:
Product Description
Catalog Number:
AG005HDK
Chemical Name:
Benzeneacetonitrile,4-methyl-a-[(5-methyl-2-furanyl)methylene]-
CAS Number:
797775-90-7
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
3-(5-methylfuran-2-yl)-2-(4-methylphenyl)prop-2-enenitrile
InChI:
InChI=1S/C15H13NO/c1-11-3-6-13(7-4-11)14(10-16)9-15-8-5-12(2)17-15/h3-9H,1-2H3
InChI Key:
FTMCEXGFVOFNGL-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(o1)C)c1ccc(cc1)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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