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Home > Aldehydes > 113502-89-9
113502-89-9 | Benzaldehyde, 3-acetyl-4,6-bis(hexyloxy)-2-hydroxy-
CAS No: 113502-89-9 Catalog No: AG0008SR MDL No:
Product Description
Catalog Number:
AG0008SR
Chemical Name:
Benzaldehyde, 3-acetyl-4,6-bis(hexyloxy)-2-hydroxy-
CAS Number:
113502-89-9
Molecular Formula:
C21H32O5
Molecular Weight:
364.4758
IUPAC Name:
3-acetyl-4,6-dihexoxy-2-hydroxybenzaldehyde
InChI:
InChI=1S/C21H32O5/c1-4-6-8-10-12-25-18-14-19(26-13-11-9-7-5-2)20(16(3)23)21(24)17(18)15-22/h14-15,24H,4-13H2,1-3H3
InChI Key:
OGEAVRCLNKQUHM-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc(OCCCCCC)c(c(c1C=O)O)C(=O)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.225g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.482g/mol
Monoisotopic Mass:
364.225g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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