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Home > Aldehydes > 138001-96-4
138001-96-4 | Benzaldehyde, 4-methyl-2,5-bis(octyloxy)-
CAS No: 138001-96-4 Catalog No: AG0017TX MDL No:
Product Description
Catalog Number:
AG0017TX
Chemical Name:
Benzaldehyde, 4-methyl-2,5-bis(octyloxy)-
CAS Number:
138001-96-4
Molecular Formula:
C24H40O3
Molecular Weight:
376.5726
IUPAC Name:
4-methyl-2,5-dioctoxybenzaldehyde
InChI:
InChI=1S/C24H40O3/c1-4-6-8-10-12-14-16-26-23-19-22(20-25)24(18-21(23)3)27-17-15-13-11-9-7-5-2/h18-20H,4-17H2,1-3H3
InChI Key:
ILVNMIVFJIYEDH-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(C=O)c(cc1C)OCCCCCCCC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.298g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.581g/mol
Monoisotopic Mass:
376.298g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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