3-Amino-4-hydroxy-5-methoxybenzoic Acid - CAS 84211-28-9

Catalog:	BB037153
Product Name:	3-Amino-4-hydroxy-5-methoxybenzoic Acid
CAS:	84211-28-9
Synonyms:	3-amino-4-hydroxy-5-methoxybenzoic acid; 3-amino-4-hydroxy-5-methoxybenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-amino-4-hydroxy-5-methoxybenzoic acid
Description:	3-Amino-4-hydroxy-5-methoxybenzoic Acid (CAS# 84211-28-9 ) is a useful research chemical.
Molecular Weight:	183.16
Molecular Formula:	C8H9NO4
Canonical SMILES:	COC1=CC(=CC(=C1O)N)C(=O)O
InChI:	InChI=1S/C8H9NO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,9H2,1H3,(H,11,12)
InChI Key:	YBLOPJCGAMGGRY-UHFFFAOYSA-N
LogP:	1.26240

Publication Number	Title	Priority Date
WO-2020035548-A2	Redox-active compounds and uses thereof	20180814
CN-113166079-A	Redox active compounds and their use	20180814
EP-3837246-A2	Redox-active compounds and uses thereof	20180814
US-2021253540-A1	Redox-active compounds and uses thereof	20180814
JP-2011184530-A	Polybenzoxazole and method for producing the same	20100305

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Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.05315777
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	183.05315777
Rotatable Bond Count:	2
Topological Polar Surface Area:	92.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4