Home Aldehydes Benzaldehyde, 2-[(4-Methoxyphenyl)ethynyl]-

Benzaldehyde, 2-[(4-Methoxyphenyl)ethynyl]-

CAS No.:
176910-67-1
Catalog Number:
AG00AQWP
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
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Product Description
Catalog Number:
AG00AQWP
Chemical Name:
Benzaldehyde, 2-[(4-Methoxyphenyl)ethynyl]-
CAS Number:
176910-67-1
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
MDL Number:
MFCD09030314
IUPAC Name:
2-[2-(4-methoxyphenyl)ethynyl]benzaldehyde
InChI:
InChI=1S/C16H12O2/c1-18-16-10-7-13(8-11-16)6-9-14-4-2-3-5-15(14)12-17/h2-5,7-8,10-12H,1H3
InChI Key:
RLDUQRLGSISLMK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#Cc1ccccc1C=O
Properties
Complexity:
328  
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:
3.4  
Properties