4-(4-Formyl-3-methoxyphenoxy)butyric Acid - CAS 309964-23-6

Name: 4-(4-Formyl-3-methoxyphenoxy)butyric Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020780
Product Name:	4-(4-Formyl-3-methoxyphenoxy)butyric Acid
CAS:	309964-23-6
Synonyms:	4-(4-formyl-3-methoxyphenoxy)butanoic acid; 4-(4-formyl-3-methoxyphenoxy)butanoic acid

Technical Data

IUPAC Name:	4-(4-formyl-3-methoxyphenoxy)butanoic acid
Description:	Used in the preparation of amino(benzoyl)2-furylthiazoles and related compounds as adenosine A2A receptor antagonists via either a multistep procedure or a solid phase combinatorial preparation.
Molecular Weight:	238.24
Molecular Formula:	C12H14O5
Canonical SMILES:	COC1=C(C=CC(=C1)OCCCC(=O)O)C=O
InChI:	InChI=1S/C12H14O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChI Key:	RHQAFYIBBWZTOI-UHFFFAOYSA-N
Boiling Point:	461.5 °C at 760 mmHg
Density:	1.232 g/cm³
LogP:	1.75130

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2017052394-A1	Imidazopyridine compounds and their use as 5-ht6 receptor ligands	20150923
DE-102010047714-A1	Derivatives of steroid benzylamines with antiparasitic, antibacterial, antifungal and / or antiviral activity	20101006
EP-2625190-A2	Derivatives of steroid benzylamines, having an antiparasitic, antibacterial, antimycotic and/or antiviral action	20101006
US-2013266645-A1	Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action	20101006
US-9382288-B2	Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action	20101006

Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.08412354
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.08412354
Rotatable Bond Count:	7
Topological Polar Surface Area:	72.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2