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Home > Aldehydes > 1198467-57-0
1198467-57-0 | Benzaldehyde, 2,6-bis(dodecyloxy)-
CAS No: 1198467-57-0 Catalog No: AG000PRS MDL No:
Product Description
Catalog Number:
AG000PRS
Chemical Name:
Benzaldehyde, 2,6-bis(dodecyloxy)-
CAS Number:
1198467-57-0
Molecular Formula:
C31H54O3
Molecular Weight:
474.7587
IUPAC Name:
2,6-didodecoxybenzaldehyde
InChI:
InChI=1S/C31H54O3/c1-3-5-7-9-11-13-15-17-19-21-26-33-30-24-23-25-31(29(30)28-32)34-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28H,3-22,26-27H2,1-2H3
InChI Key:
QPAKGKFSBBAHMS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cccc(c1C=O)OCCCCCCCCCCCC
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.407g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.77g/mol
Monoisotopic Mass:
474.407g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5
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