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Home > Aldehydes > 234431-49-3
234431-49-3 | Benzaldehyde, 2-hydroxy-4-(octadecyloxy)-
CAS No: 234431-49-3 Catalog No: AG002N99 MDL No:
Product Description
Catalog Number:
AG002N99
Chemical Name:
Benzaldehyde, 2-hydroxy-4-(octadecyloxy)-
CAS Number:
234431-49-3
Molecular Formula:
C25H42O3
Molecular Weight:
390.5992
IUPAC Name:
2-hydroxy-4-octadecoxybenzaldehyde
InChI:
InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24-19-18-23(22-26)25(27)21-24/h18-19,21-22,27H,2-17,20H2,1H3
InChI Key:
WSCCNCOJYMQBOE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccc(c(c1)O)C=O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.313g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.608g/mol
Monoisotopic Mass:
390.313g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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