1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carboxylic acid - CAS 1801711-87-4
Catalog: |
BB072944 |
Product Name: |
1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carboxylic acid |
CAS: |
1801711-87-4 |
Synonyms: |
1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carboxylic acid; 1-hydroxy-3H-2,1-benzoxaborole-5-carboxylic acid; 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-5-carboxylic acid; 2,1-Benzoxaborole-5-carboxylic acid, 1,3-dihydro-1-hydroxy- |
IUPAC Name: | 1-hydroxy-3H-2,1-benzoxaborole-5-carboxylic acid |
Description: | 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carboxylic acid (cas# 1801711-87-4) is a useful research chemical. |
Molecular Weight: | 177.94 |
Molecular Formula: | C8H7BO4 |
Canonical SMILES: | B1(C2=C(CO1)C=C(C=C2)C(=O)O)O |
InChI: | InChI=1S/C8H7BO4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3,12H,4H2,(H,10,11) |
InChI Key: | MUTBROCBAAOFTH-UHFFFAOYSA-N |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.0437389 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.0437389 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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