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Home > Aldehydes > 115021-40-4
115021-40-4 | Benzaldehyde, 3,3'-(1,2-ethynediyl)bis-
CAS No: 115021-40-4 Catalog No: AG000FPL MDL No:
Product Description
Catalog Number:
AG000FPL
Chemical Name:
Benzaldehyde, 3,3'-(1,2-ethynediyl)bis-
CAS Number:
115021-40-4
Molecular Formula:
C16H10O2
Molecular Weight:
234.2494
IUPAC Name:
3-[2-(3-formylphenyl)ethynyl]benzaldehyde
InChI:
InChI=1S/C16H10O2/c17-11-15-5-1-3-13(9-15)7-8-14-4-2-6-16(10-14)12-18/h1-6,9-12H
InChI Key:
RMERVORJRCQFPE-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C#Cc1cccc(c1)C=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:
234.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.254g/mol
Monoisotopic Mass:
234.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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