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Home > Aldehydes > 823228-11-1
823228-11-1 | Benzaldehyde, 2-(3-decene-1,5-diynyl)-
CAS No: 823228-11-1 Catalog No: AG00546E MDL No:
Product Description
Catalog Number:
AG00546E
Chemical Name:
Benzaldehyde, 2-(3-decene-1,5-diynyl)-
CAS Number:
823228-11-1
Molecular Formula:
C17H16O
Molecular Weight:
236.3083
IUPAC Name:
2-dec-3-en-1,5-diynylbenzaldehyde
InChI:
InChI=1S/C17H16O/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15-18/h7-8,10-11,13-15H,2-4H2,1H3
InChI Key:
OTFIUDISBQIVQM-UHFFFAOYSA-N
SMILES:
CCCCC#CC=CC#Cc1ccccc1C=O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.314g/mol
Monoisotopic Mass:
236.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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