2-Methyl-5-phenyl-3-furoic Acid - CAS 108124-17-0

Catalog:	BB002172
Product Name:	2-Methyl-5-phenyl-3-furoic Acid
CAS:	108124-17-0
Synonyms:	2-methyl-5-phenyl-3-furancarboxylic acid; 2-methyl-5-phenylfuran-3-carboxylic acid

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Computed Properties

IUPAC Name:	2-methyl-5-phenylfuran-3-carboxylic acid
Description:	2-Methyl-5-phenyl-3-furoic Acid (CAS# 108124-17-0) is a useful research chemical.
Molecular Weight:	202.21
Molecular Formula:	C12H10O3
Canonical SMILES:	CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)O
InChI:	InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChI Key:	VLMNACSEESRUAK-UHFFFAOYSA-N
Boiling Point:	357.1 °C at 760 mmHg
Density:	1.215 g/cm³
Appearance:	Light yellow crystalline powder
MDL:	MFCD00221070
LogP:	2.95320

Publication Number	Title	Priority Date
AU-2018360857-A1	Modulators of the integrated stress pathway	20171102
TW-201927756-A	Integrating stress pathway regulator	20171102
WO-2019090076-A1	Modulators of the integrated stress pathway	20171102
BR-112020008839-A2	modulators of the integrated stress pathway	20171102
EP-3710428-A1	Modulators of the integrated stress pathway	20171102

PMID	Publication Date	Title	Journal
29610524	20180403	A lever-like transduction pathway for long-distance chemical- and mechano-gating of the mechanosensitive Piezo1 channel	Nature communications

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GHS Hazard Statement:	H314 (16.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.062994177
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6