4- (11-Hydroxyundecyloxy) benzaldehyde

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CAT#:0024-sc-484984Size:1 g

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CAS Number

124389-14-6

Chemical Information

4-((11-Hydroxyundecyl)oxy)benzaldehyde

CAS Number	124389-14-6
PubChem CID	14965977
IUPAC Name	4-(11-hydroxyundecoxy)benzaldehyde
Molecular Formula	C18H28O3
Molecular Weight	292.4
XLogP	4.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	13
Heavy Atom Count	21
Formal Charge	0
Complexity	235

SMILES

C1=CC(=CC=C1C=O)OCCCCCCCCCCCO

InChI

InChI=1S/C18H28O3/c19-14-8-6-4-2-1-3-5-7-9-15-21-18-12-10-17(16-20)11-13-18/h10-13,16,19H,1-9,14-15H2

InChIKey

YUNZXZMRQBKWQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 124389-14-6

CID: 14965977

Formula: C18H28O3

MW: 292.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.4
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	13
Exact Mass	292.20384475
Monoisotopic Mass	292.20384475
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-297888	1,2-Bis- (11-hydroxyundecyloxy) benzene
sc-226386	4- (4-Formylphenoxy) benzaldehyde
sc-232225	4- (4-Bromophenoxy) benzaldehyde
sc-232248	4- (4-Methylphenyl) benzaldehyde
sc-254566	4- (4-Morpholinyl) benzaldehyde
sc-336070	4- (4-Chlorobenzenesulfonyl) benzaldehyde
sc-261335	4- (4-Fluorobenzyloxy) benzaldehyde
sc-232224	4- (4-Bromobenzyloxy) benzaldehyde
sc-232232	4- (4-Chlorophenoxy) benzaldehyde
sc-232240	4- (4-Methoxyphenoxy) benzaldehyde

Catalog	Name
OR1079201-01	4- (11-Hydroxyundecyloxy) benzaldehyde
40000023-1	Benzaldehyde