4-(Carboxymethyl)phenylboronic acid - CAS 90111-58-3

Catalog:	BB039767
Product Name:	4-(Carboxymethyl)phenylboronic acid
CAS:	90111-58-3
Synonyms:	2-(4-boronophenyl)acetic acid; 2-(4-boronophenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(4-boronophenyl)acetic acid
Description:	4-(Carboxymethyl)phenylboronic acid (CAS# 90111-58-3) is a useful research chemical.
Molecular Weight:	179.97
Molecular Formula:	C8H9O4B
Canonical SMILES:	B(C1=CC=C(C=C1)CC(=O)O)(O)O
InChI:	InChI=1S/C8H9BO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4,12-13H,5H2,(H,10,11)
InChI Key:	NFGJQVPDPIGBJE-UHFFFAOYSA-N
Boiling Point:	416.067 °C at 760 mmHg
Density:	1.339 g/cm³
LogP:	-1.00650

Publication Number	Title	Priority Date
CN-111514312-A	Polypeptide drug conjugate for promoting nerve regeneration and application thereof	20200522
CN-111146496-A	Polymer electrolyte and lithium ion battery containing same	20191223
CN-111146496-B	Polymer electrolyte and lithium ion battery containing same	20191223
CN-112552302-A	Substituted aromatic fused ring derivatives, compositions and uses thereof	20190926
US-2021077385-A1	Wet-packed soft hydrogel ocular inserts	20190918

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0593889
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	180.0593889
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0