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Home > Aldehydes > 138001-95-3
138001-95-3 | Benzaldehyde, 2-(dodecyloxy)-4-methyl-
CAS No: 138001-95-3 Catalog No: AG0017TY MDL No:
Product Description
Catalog Number:
AG0017TY
Chemical Name:
Benzaldehyde, 2-(dodecyloxy)-4-methyl-
CAS Number:
138001-95-3
Molecular Formula:
C20H32O2
Molecular Weight:
304.4669
IUPAC Name:
2-dodecoxy-4-methylbenzaldehyde
InChI:
InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-11-12-15-22-20-16-18(2)13-14-19(20)17-21/h13-14,16-17H,3-12,15H2,1-2H3
InChI Key:
RMYNQTHMLOPQEF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(C)ccc1C=O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.24g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.474g/mol
Monoisotopic Mass:
304.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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