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42872-30-0 | 2-(3-Benzoylphenyl);propanenitrile
CAS No: 42872-30-0 Catalog No: AG003B28 MDL No:MFCD00044435
Product Description
Catalog Number:
AG003B28
Chemical Name:
2-(3-Benzoylphenyl);propanenitrile
CAS Number:
42872-30-0
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD00044435
IUPAC Name:
2-(3-benzoylphenyl)propanenitrile
InChI:
InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3
InChI Key:
RGYOCHMZSLUCNP-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)C(=O)c1ccccc1)C
EC Number:
255-982-5
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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