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Home > Aldehydes > 115021-39-1
115021-39-1 | Benzaldehyde, 3-(2-phenylethynyl)-
CAS No: 115021-39-1 Catalog No: AG000FPM MDL No:MFCD02736017
Product Description
Catalog Number:
AG000FPM
Chemical Name:
Benzaldehyde, 3-(2-phenylethynyl)-
CAS Number:
115021-39-1
Molecular Formula:
C15H10O
Molecular Weight:
206.2393
MDL Number:
MFCD02736017
IUPAC Name:
3-(2-phenylethynyl)benzaldehyde
InChI:
InChI=1S/C15H10O/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11-12H
InChI Key:
RRMQKWJANJYKFC-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C#Cc1ccccc1
Properties
Complexity:
287
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:
3.4
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