Methyl 4'-Hydroxybiphenyl-4-carboxylate - CAS 40501-41-5

Catalog:	BB024535
Product Name:	Methyl 4'-Hydroxybiphenyl-4-carboxylate
CAS:	40501-41-5
Synonyms:	4-(4-hydroxyphenyl)benzoic acid methyl ester; methyl 4-(4-hydroxyphenyl)benzoate

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Computed Properties

IUPAC Name:	methyl 4-(4-hydroxyphenyl)benzoate
Description:	Methyl 4'-Hydroxybiphenyl-4-carboxylate (CAS# 40501-41-5) is a useful research chemical.
Molecular Weight:	228.24
Molecular Formula:	C14H12O3
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)O
InChI:	InChI=1S/C14H12O3/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9,15H,1H3
InChI Key:	PHBQSOODLMGROT-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.84580

Publication Number	Title	Priority Date
WO-2020003938-A1	Polarizer and image display device	20180627
WO-2020004106-A1	Polarizer and image display device	20180627
WO-2020004303-A1	Polarizer and image display device	20180627
CN-112334797-A	Polarizer and image display device	20180627
US-2021109270-A1	Polarizer and image display device	20180627

PMID	Publication Date	Title	Journal
16841348	20060816	Exploring and expanding the structural diversity of self-assembling dendrons through combinations of AB, constitutional isomeric AB2, and AB3 biphenyl-4-methyl ether building blocks	Chemistry (Weinheim an der Bergstrasse, Germany)
12873498	20030818	A specific anti-Helicobacter pylori agent NE2001: synthesis and its effect on the growth of H. pylori	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.078644241
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6