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2-[3-(Benzyloxy)-4-methoxyphenyl]acetic Acid

2-[3-(Benzyloxy)-4-methoxyphenyl]acetic Acid - CAS 5487-33-2

Catalog:	BB028839
Product Name:	2-[3-(Benzyloxy)-4-methoxyphenyl]acetic Acid
CAS:	5487-33-2
Synonyms:	2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid; 2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid
Description:	Reagent used in the preparation of inhibitors and ant-inflammatory agents.
Molecular Weight:	272.30
Molecular Formula:	C16H16O4
Canonical SMILES:	COC1=C(C=C(C=C1)CC(=O)O)OCC2=CC=CC=C2
InChI:	InChI=1S/C16H16O4/c1-19-14-8-7-13(10-16(17)18)9-15(14)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
InChI Key:	WXWWJUKMWNYILA-UHFFFAOYSA-N
Boiling Point:	440.1 °C at 760 mmHg
Density:	1.207 g/cm³
MDL:	MFCD00183334
LogP:	2.90130

Publication Number	Title	Priority Date
CN-111518108-A	Complete synthesis method of optically pure tetrandrine	20200326
CN-107303298-A	A kind of benzene [g] heteroaryl simultaneously medicinal usage of [a, g] quinolizine class compound and preparation method thereof	20160421
CN-107303298-B	Pharmaceutical application of benzo [ g ] heteroaryl [ a, g ] quinolizine compound and preparation method thereof	20160421
AU-2010334890-A1	Substituted isoquinolinones and quinazolinones	20091222
AU-2010334890-B2	Substituted isoquinolinones and quinazolinones	20091222

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

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501
Signal Word:	Danger

Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.10485899
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.10485899
Rotatable Bond Count:	6
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6