7-Methoxy-1-naphthaleneacetic acid - CAS 6836-22-2
Catalog: |
BB033539 |
Product Name: |
7-Methoxy-1-naphthaleneacetic acid |
CAS: |
6836-22-2 |
Synonyms: |
2-(7-methoxy-1-naphthalenyl)acetic acid; 2-(7-methoxynaphthalen-1-yl)acetic acid |
IUPAC Name: | 2-(7-methoxynaphthalen-1-yl)acetic acid |
Description: | 2-(7-Methoxy-1-naphthyl)acetic Acid (CAS# 6836-22-2) is a useful research chemical. |
Molecular Weight: | 216.23 |
Molecular Formula: | C13H12O3 |
Canonical SMILES: | COC1=CC2=C(C=CC=C2CC(=O)O)C=C1 |
InChI: | InChI=1S/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15) |
InChI Key: | GJPYHKXILUFWKV-UHFFFAOYSA-N |
Boiling Point: | 408.8 °C / 760 mmHg |
Purity: | 98.0% |
Density: | 1.235 g/cm3 |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD12756806 |
LogP: | 2.47550 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107353229-A | A kind of preparation method of agomelatine intermediate body | 20170808 |
CN-107353229-B | A kind of preparation method of agomelatine intermediate body | 20170808 |
WO-2016046833-A2 | Improved processes for the preparation of agomelatine using novel intermediates | 20140924 |
CN-104230754-A | Synthetic method for 7-methoxy-1-naphthylacetonitrile | 20140917 |
AU-2013369649-A1 | Heterocyclic compounds and methods of use thereof | 20121231 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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