Ethyl 4-Hydroxy-2-naphthoate - CAS 91307-39-0

Catalog:	BB040113
Product Name:	Ethyl 4-Hydroxy-2-naphthoate
CAS:	91307-39-0
Synonyms:	4-hydroxy-2-naphthalenecarboxylic acid ethyl ester; ethyl 4-hydroxynaphthalene-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-hydroxynaphthalene-2-carboxylate
Description:	Ethyl 4-Hydroxy-2-naphthoate (CAS# 91307-39-0) is a useful research chemical.
Molecular Weight:	216.23
Molecular Formula:	C13H12O3
Canonical SMILES:	CCOC(=O)C1=CC2=CC=CC=C2C(=C1)O
InChI:	InChI=1S/C13H12O3/c1-2-16-13(15)10-7-9-5-3-4-6-11(9)12(14)8-10/h3-8,14H,2H2,1H3
InChI Key:	QMCMRBCASLXWFT-UHFFFAOYSA-N
Boiling Point:	401.6 °C at 760 mmHg
Density:	1.225 g/cm³
LogP:	2.72210

Publication Number	Title	Priority Date
TW-201904976-A	MCL-1 inhibitor and method of use thereof	20170331
WO-2018178226-A1	Mcl-1 inhibitors and methods of use thereof	20170331
US-2016214924-A1	Substituted naphthalene compounds as calcium sensing receptor modulators	20130828
US-9493396-B2	Substituted naphthalene compounds as calcium sensing receptor modulators	20130828
CA-2856946-A1	Pyrrolo carboxamides as modulators of orphan nuclear receptor rar-related orphan receptor-gamma (rory, nr1f3) activity and for the treatment of chronic inflammatory and autoimmunediseases	20111202

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Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.078644241
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5