5-(Ethoxycarbonyl)naphthalene-1-boronic acid - CAS 1394900-71-0
Catalog: |
BB065943 |
Product Name: |
5-(Ethoxycarbonyl)naphthalene-1-boronic acid |
CAS: |
1394900-71-0 |
Synonyms: |
5-(ETHOXYCARBONYL)NAPHTHALENE-1-BORONIC ACID; (5-ethoxycarbonylnaphthalen-1-yl)boronic acid; 5-(ETHOXYCARBONYL)NAPHTHALENE-1-BORONICACID |
IUPAC Name: | (5-ethoxycarbonylnaphthalen-1-yl)boronic acid |
Molecular Weight: | 244.05 |
Molecular Formula: | C13H13BO4 |
Canonical SMILES: | B(C1=C2C=CC=C(C2=CC=C1)C(=O)OCC)(O)O |
InChI: | InChI=1S/C13H13BO4/c1-2-18-13(15)11-7-3-6-10-9(11)5-4-8-12(10)14(16)17/h3-8,16-17H,2H2,1H3 |
InChI Key: | CMIBPCFOMZMVHS-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.0906891 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.0906891 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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