7-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic Acid - CAS 85858-95-3
Catalog: |
BB037747 |
Product Name: |
7-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic Acid |
CAS: |
85858-95-3 |
Synonyms: |
7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid; 7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
IUPAC Name: | 7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
Description: | 7-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic Acid (CAS# 85858-95-3) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | COC1=CC2=C(CCCC2C(=O)O)C=C1 |
InChI: | InChI=1S/C12H14O3/c1-15-9-6-5-8-3-2-4-10(12(13)14)11(8)7-9/h5-7,10H,2-4H2,1H3,(H,13,14) |
InChI Key: | WJNRAOKRAWFGFS-UHFFFAOYSA-N |
Boiling Point: | 374.977 °C at 760 mmHg |
Density: | 1.195 g/cm3 |
LogP: | 2.19970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017123518-A1 | Aminotriazole immunomodulators for treating autoimmune diseases | 20160111 |
EP-1739078-A1 | Antagonists of C5a-receptor | 20050530 |
US-2008220003-A1 | C5a Receptor Antagonists | 20050530 |
US-8071810-B2 | C5a receptor antagonists | 20050530 |
CA-2565953-A1 | Piperidine derivatives as nk1 and nk3 antagonists | 20040512 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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