2-(8-Methoxy-3-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetic Acid - CAS 101691-63-8
Catalog: |
BB000607 |
Product Name: |
2-(8-Methoxy-3-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetic Acid |
CAS: |
101691-63-8 |
Synonyms: |
2-(8-methoxy-3-oxo-2,4-dihydro-1H-naphthalen-2-yl)acetic acid; 2-(8-methoxy-3-oxo-2,4-dihydro-1H-naphthalen-2-yl)acetic acid |
IUPAC Name: | 2-(8-methoxy-3-oxo-2,4-dihydro-1H-naphthalen-2-yl)acetic acid |
Description: | 2-(8-Methoxy-3-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetic Acid (CAS# 101691-63-8 ) is a useful research chemical. |
Molecular Weight: | 234.25 |
Molecular Formula: | C13H14O4 |
Canonical SMILES: | COC1=CC=CC2=C1CC(C(=O)C2)CC(=O)O |
InChI: | InChI=1S/C13H14O4/c1-17-12-4-2-3-8-6-11(14)9(5-10(8)12)7-13(15)16/h2-4,9H,5-7H2,1H3,(H,15,16) |
InChI Key: | LCGNDKQQVRWEDU-UHFFFAOYSA-N |
LogP: | 1.45380 |
Publication Number | Title | Priority Date |
US-2016152548-A1 | Novel intermediate for synthesizing treprostinil diethanolamine and method for preparing the same | 20141201 |
US-9505704-B2 | Intermediate for synthesizing treprostinil diethanolamine and method for preparing the same | 20141201 |
EP-0175450-A1 | An interphenylene-carbacyclin compound | 19840718 |
EP-0175450-B1 | An interphenylene-carbacyclin compound | 19840718 |
EP-0159784-A1 | Carbacyclin analogues | 19840308 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.08920892 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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