3-Amino-5-carboxyphenylboronic Acid - CAS 116378-40-6
Catalog: |
BB003750 |
Product Name: |
3-Amino-5-carboxyphenylboronic Acid |
CAS: |
116378-40-6 |
Synonyms: |
3-amino-5-boronobenzoic acid; 3-amino-5-boronobenzoic acid |
IUPAC Name: | 3-amino-5-boronobenzoic acid |
Description: | 3-Amino-5-carboxyphenylboronic Acid (CAS# 116378-40-6) is a useful research chemical. |
Molecular Weight: | 180.95 |
Molecular Formula: | C7H8NO4B |
Canonical SMILES: | B(C1=CC(=CC(=C1)N)C(=O)O)(O)O |
InChI: | InChI=1S/C7H8BNO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,9H2,(H,10,11) |
InChI Key: | VVQAAMZMJNXCOP-UHFFFAOYSA-N |
Boiling Point: | 545.5 °C at 760 mmHg |
Density: | 1.49 g/cm3 |
Appearance: | Light yellow to off-white powder |
LogP: | -0.77200 |
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, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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-110967488-A | Test strip, kit and method for measuring glycosylated hemoglobin | 20191220 |
AU-2016317806-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
CA-2995675-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0546379 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0546379 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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