5-Methoxy-2,3-dihydro-1H-indene-1-carboxylic Acid - CAS 116854-10-5
Catalog: |
BB003818 |
Product Name: |
5-Methoxy-2,3-dihydro-1H-indene-1-carboxylic Acid |
CAS: |
116854-10-5 |
Synonyms: |
5-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid; 5-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid |
IUPAC Name: | 5-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid |
Description: | 5-Methoxy-2,3-dihydro-1H-indene-1-carboxylic Acid (CAS# 116854-10-5) is a useful research chemical compound. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(CC2)C(=O)O |
InChI: | InChI=1S/C11H12O3/c1-14-8-3-5-9-7(6-8)2-4-10(9)11(12)13/h3,5-6,10H,2,4H2,1H3,(H,12,13) |
InChI Key: | KWQZTFAAOCBAHM-UHFFFAOYSA-N |
LogP: | 1.80960 |
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 |
Publication Number | Title | Priority Date |
CA-2422342-C | Novel amide derivatives and medicinal use thereof | 20000914 |
EP-1318140-A1 | Novel amide derivatives and medicinal use thereof ugs | 20000914 |
EP-1318140-B1 | Novel amide derivatives and medicinal use thereof | 20000914 |
EP-1318140-B9 | Novel amide derivatives and medicinal use thereof | 20000914 |
ES-2366887-T3 | NEW DERIVATIVES OF AMIDA AND ITS THERAPEUTIC USE. | 20000914 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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