(3-Benzyloxyphenyl)acetic acid - CAS 1860-58-8

Name: (3-Benzyloxyphenyl)acetic acid
Brand: BOC Sciences
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Catalog:	BB014273
Product Name:	(3-Benzyloxyphenyl)acetic acid
CAS:	1860-58-8
Synonyms:	2-(3-phenylmethoxyphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3-phenylmethoxyphenyl)acetic acid
Description:	(3-Benzyloxyphenyl)acetic acid (CAS# 1860-58-8) is a useful research chemical.
Molecular Weight:	242.27
Molecular Formula:	C15H14O3
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC=CC(=C2)CC(=O)O
InChI:	InChI=1S/C15H14O3/c16-15(17)10-13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17)
InChI Key:	LLZKAZNUCYYBQO-UHFFFAOYSA-N
Boiling Point:	418.4 °C at 760 mmHg
Melting Point:	121-125 °C
Purity:	98 %
Density:	1.201 g/cm³
Appearance:	Solid
MDL:	MFCD02664806
LogP:	2.89270

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2020249957-A1	Compounds for treating respiratory disease	20190612
EP-3634406-A2	3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof	20170512
US-2020165230-A1	3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof	20170512
WO-2018209267-A2	3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof	20170512
JP-2020519644-A	3,4,5-Trisubstituted-1,2,4-triazole and 3,4,5-trisubstituted-3-thio-1,2,4-triazole and their use	20170512

PMID	Publication Date	Title	Journal
21739961	20110819	Biocatalytic organic synthesis of optically pure (S)-scoulerine and berbine and benzylisoquinoline alkaloids	The Journal of organic chemistry
15927467	20050701	Ethers of 3-hydroxyphenylacetic acid as selective gamma-hydroxybutyric acid receptor ligands	Bioorganic & medicinal chemistry letters

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.094294304
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3