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73179-67-6 | Benzaldehyde, 2-[(3-phenyl-2-propynyl)oxy]-
CAS No: 73179-67-6 Catalog No: AG005FQE MDL No:
Product Description
Catalog Number:
AG005FQE
Chemical Name:
Benzaldehyde, 2-[(3-phenyl-2-propynyl)oxy]-
CAS Number:
73179-67-6
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
2-(3-phenylprop-2-ynoxy)benzaldehyde
InChI:
InChI=1S/C16H12O2/c17-13-15-10-4-5-11-16(15)18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13H,12H2
InChI Key:
VYXUMUYBMPYZRV-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCC#Cc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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