CAS 5736-94-7 | 4-(Hexyloxy)benzaldehyde | CAS Number 5736-94-7

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5736-94-7 | 4-(Hexyloxy)benzaldehyde

CAS No: 5736-94-7 Catalog No: AG003LU5 MDL No:MFCD00016615

Product Description

Catalog Number:

AG003LU5

Chemical Name:

4-(Hexyloxy)benzaldehyde

CAS Number:

5736-94-7

Molecular Formula:

C13H18O2

Molecular Weight:

206.2808

MDL Number:

MFCD00016615

IUPAC Name:

4-hexoxybenzaldehyde

InChI:

InChI=1S/C13H18O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3

InChI Key:

GWXUVWKBVROFDM-UHFFFAOYSA-N

SMILES:

CCCCCCOc1ccc(cc1)C=O

EC Number:

227-251-0

UNII:

ZU34J4QL75

NSC Number:

508752

Properties

Complexity:

160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.285g/mol

Monoisotopic Mass:

206.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
(E)-3-[4-(Hex-yloxy)phen-yl]-1-(2-hydroxy-phen-yl)prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20090601
(E)-3-[4-(Hex-yloxy)phen-yl]-1-(4-hydroxy-phen-yl)prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20090601
(E)-3-(4-Hexyl-oxyphen-yl)-1-(3-hydroxy-phen-yl)prop-2-en-one.	Acta crystallographica. Section E, Structure reports online 20090401