Methyl 2-Hydroxy-1-naphthoate - CAS 947-65-9

Catalog:	BB041494
Product Name:	Methyl 2-Hydroxy-1-naphthoate
CAS:	947-65-9
Synonyms:	2-hydroxy-1-naphthalenecarboxylic acid methyl ester; methyl 2-hydroxynaphthalene-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-hydroxynaphthalene-1-carboxylate
Description:	Methyl 2-Hydroxy-1-naphthoate (CAS# 947-65-9) is a useful research chemical.
Molecular Weight:	202.21
Molecular Formula:	C12H10O3
Canonical SMILES:	COC(=O)C1=C(C=CC2=CC=CC=C21)O
InChI:	InChI=1S/C12H10O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7,13H,1H3
InChI Key:	LEENMPKUUNPLHM-UHFFFAOYSA-N
Boiling Point:	330.5 °C at 760 mmHg
Density:	1.264 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00454146
LogP:	2.33200

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WO-2021132247-A1	Resin composition and molded article	20191224
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US-2021299095-A1	Method of modulating ribonucleotide reductase	20180718

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Complexity:	239
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:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2