3-Hydroxy-1-naphthaldehyde - CAS 91136-43-5

Catalog:	BB040053
Product Name:	3-Hydroxy-1-naphthaldehyde
CAS:	91136-43-5
Synonyms:	3-hydroxy-1-naphthalenecarboxaldehyde; 3-hydroxynaphthalene-1-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-hydroxynaphthalene-1-carbaldehyde
Description:	3-Hydroxy-1-naphthaldehyde (CAS# 91136-43-5 ) is a useful research chemical.
Molecular Weight:	172.18
Molecular Formula:	C11H8O2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C=C2C=O)O
InChI:	InChI=1S/C11H8O2/c12-7-9-6-10(13)5-8-3-1-2-4-11(8)9/h1-7,13H
InChI Key:	PLCQXZXTFCITAJ-UHFFFAOYSA-N
LogP:	2.35790

Publication Number	Title	Priority Date
WO-2020072580-A1	Matriptase 2 inhibitors and uses thereof	20181002
CN-112996529-A	Matriptase 2 inhibitor and application thereof	20181002
EP-3860636-A1	Matriptase 2 inhibitors and uses thereof	20181002
WO-2018140513-A1	1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1yl)prop-2-en-1-one derivatives and similar compounds as kras g12c modulators for treating cancer	20170126
JP-2018104360-A	Method for producing ester	20161227

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.052429494
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8