3-Amino-5-hydroxybenzoic Acid - CAS 76045-71-1

Catalog:	BB035483
Product Name:	3-Amino-5-hydroxybenzoic Acid
CAS:	76045-71-1
Synonyms:	3-amino-5-hydroxybenzoic acid; 3-amino-5-hydroxybenzoic acid

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Computed Properties

IUPAC Name:	3-amino-5-hydroxybenzoic acid
Description:	3-Amino-5-hydroxybenzoic Acid (CAS# 76045-71-1) is used in preparation of Meta-azacyclic Amino Benzoic Acid derivative as pan integrin antagonists useful in treating diseases.
Molecular Weight:	153.14
Molecular Formula:	C7H7NO3
Canonical SMILES:	C1=C(C=C(C=C1N)O)C(=O)O
InChI:	InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11)
InChI Key:	QPEJHSFTZVMSJH-UHFFFAOYSA-N
Boiling Point:	453.4 °C at 760 mmHg
Density:	1.491 g/cm³
LogP:	1.25380

Publication Number	Title	Priority Date
CN-111777522-A	Multi-site amino acid passivation material, perovskite based on material, and preparation method and application of perovskite	20200602
CN-111269217-A	Pyrimidinamine compound, preparation method and application thereof	20200407
CN-111269217-B	Pyrimidinamine compound, preparation method and application thereof	20200407
CN-111464299-A	Physical layer key generation method for constructing reciprocal channel parameters based on frequency division duplex mode	20200401
WO-2021176572-A1	Machine learning program, machine learning method, and machine learning device	20200303

PMID	Publication Date	Title	Journal
26092459	20150901	Identification and Heterologous Expression of the Chaxamycin Biosynthesis Gene Cluster from Streptomyces leeuwenhoekii	Applied and environmental microbiology
22129076	20120201	A new method for rapid identification of ansamycin compounds by inactivating KLM gene clusters in potential ansamycin-producing actinomyces	Journal of applied microbiology
22193711	20120201	Biosynthesis of 3,5-AHBA-derived natural products	Natural product reports
22136518	20120125	Broad substrate specificity of the amide synthase in S. hygroscopicus--new 20-membered macrolactones derived from geldanamycin	Journal of the American Chemical Society
21614382	20110801	Cloning and functional analysis of the naphthomycin biosynthetic gene cluster in Streptomyces sp. CS	Molecular bioSystems

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5