Methyl 5-Formyl-2-hydroxybenzoate - CAS 41489-76-3

Catalog:	BB024894
Product Name:	Methyl 5-Formyl-2-hydroxybenzoate
CAS:	41489-76-3
Synonyms:	5-formyl-2-hydroxybenzoic acid methyl ester; methyl 5-formyl-2-hydroxybenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-formyl-2-hydroxybenzoate
Description:	Methyl 5-Formyl-2-hydroxybenzoate (CAS# 41489-76-3) is a useful research chemical.
Molecular Weight:	180.16
Molecular Formula:	C9H8O4
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)C=O)O
InChI:	InChI=1S/C9H8O4/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-5,11H,1H3
InChI Key:	XJKWVPNWHOCFBR-UHFFFAOYSA-N
Boiling Point:	294.5 °C at 760 mmHg
Density:	1.31 g/cm³
LogP:	0.99130

Publication Number	Title	Priority Date
WO-2020247679-A1	Wdr5 inhibitors and modulators	20190604
WO-2020160711-A1	Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist	20190207
US-2020233325-A1	Electrophotographic photoconductor, image forming apparatus, and process cartridge	20190117
US-11016403-B2	Electrophotographic photoconductor, image forming apparatus, and process cartridge	20190117
WO-2020138015-A1	Pyrazolo[1,5-a]pyrimidine macrocyclic compound	20181227

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.04225873
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.04225873
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8