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Home > Aldehydes > 106824-47-9
106824-47-9 | Benzaldehyde, 2-(1-hexynyl)-4,5-dimethoxy-
CAS No: 106824-47-9 Catalog No: AG00830C MDL No:
Product Description
Catalog Number:
AG00830C
Chemical Name:
Benzaldehyde, 2-(1-hexynyl)-4,5-dimethoxy-
CAS Number:
106824-47-9
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
2-hex-1-ynyl-4,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C15H18O3/c1-4-5-6-7-8-12-9-14(17-2)15(18-3)10-13(12)11-16/h9-11H,4-6H2,1-3H3
InChI Key:
PODVQUYAYLZQLV-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1cc(OC)c(cc1C=O)OC
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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