methyl 4-amino-3-hydroxybenzoate - CAS 63435-16-5

Catalog:	BB032145
Product Name:	methyl 4-amino-3-hydroxybenzoate
CAS:	63435-16-5
Synonyms:	4-amino-3-hydroxybenzoic acid methyl ester; methyl 4-amino-3-hydroxybenzoate

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Computed Properties

IUPAC Name:	methyl 4-amino-3-hydroxybenzoate
Description:	methyl 4-amino-3-hydroxybenzoate (CAS# 63435-16-5) is a useful research chemical.
Molecular Weight:	167.16
Molecular Formula:	C8H9NO3
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)N)O
InChI:	InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,9H2,1H3
InChI Key:	OCZXDVNSNDITBS-UHFFFAOYSA-N
Boiling Point:	364.5 °C at 760 mmHg
Melting Point:	120-122 °C
Purity:	95 %
Density:	1.305 g/cm³
Appearance:	Solid
MDL:	MFCD00017093
LogP:	1.34220

Publication Number	Title	Priority Date
WO-2021161230-A1	Small molecule sting antagonists	20200212
WO-2021127743-A1	Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof	20191223
CN-112778336-A	Nitrogen-containing fused ring STING regulator compounds, preparation method and application	20191102
WO-2021083383-A1	Nitrogen-containing fused cyclic compound as sting regulator, and preparation method therefor and use thereof	20191102
WO-2021066922-A1	Antiviral heterocyclic compounds	20191004

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.058243149
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.058243149
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8