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40663-68-1

40663-68-1 | 4-(Allyloxy)benzaldehyde

CAS No: 40663-68-1 Catalog No: AG003KN8 MDL No:MFCD00014133

Product Description

Catalog Number:
AG003KN8
Chemical Name:
4-(Allyloxy)benzaldehyde
CAS Number:
40663-68-1
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00014133
IUPAC Name:
4-prop-2-enoxybenzaldehyde
InChI:
InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2
InChI Key:
TYNJQOJWNMZQFZ-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1)C=O
EC Number:
255-027-2
NSC Number:
44013

Properties

Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
(3E,5E)-3,5-Bis(4-allyl-oxybenzyl-idene)-1-benzyl-piperidin-4-one. Acta crystallographica. Section E, Structure reports online 20091201

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