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119754-17-5 | Methanone, (4-ethynylphenyl)phenyl-
CAS No: 119754-17-5 Catalog No: AG000PLL MDL No:
Product Description
Catalog Number:
AG000PLL
Chemical Name:
Methanone, (4-ethynylphenyl)phenyl-
CAS Number:
119754-17-5
Molecular Formula:
C15H10O
Molecular Weight:
206.2393
IUPAC Name:
(4-ethynylphenyl)-phenylmethanone
InChI:
InChI=1S/C15H10O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h1,3-11H
InChI Key:
GMJRQKHAIVLPIR-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.244g/mol
Monoisotopic Mass:
206.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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