7-Methoxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid - CAS 1119833-01-0
Catalog: |
BB054720 |
Product Name: |
7-Methoxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid |
CAS: |
1119833-01-0 |
Synonyms: |
7-methoxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylicacid |
IUPAC Name: | 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid |
Molecular Weight: | 210.18 |
Molecular Formula: | C10H10O5 |
Canonical SMILES: | COC1=CC2=C(C=C1C(=O)O)OCCO2 |
InChI: | InChI=1S/C10H10O5/c1-13-7-5-9-8(14-2-3-15-9)4-6(7)10(11)12/h4-5H,2-3H2,1H3,(H,11,12) |
InChI Key: | WZJGVPWIHHYBEG-UHFFFAOYSA-N |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.05282342 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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