4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic Acid - CAS 15448-77-8
Catalog: |
BB060312 |
Product Name: |
4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic Acid |
CAS: |
15448-77-8 |
Synonyms: |
Bicyclo[2.2.1]heptane-1,4-dicarboxylic Acid Monomethyl Ester (9CI);1-Methyl bicyclo[2.2.1]heptane-1,4-dicarboxylate;1,4-Norbornanedicarboxylic Acid Monomethyl Ester (8CI) |
IUPAC Name: | 4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acid |
Description: | 4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic Acid (CAS# 15448-77-8) is a reagent having SIRT6 activating effect, and is used for treating peripheral inflammatory disease. |
Molecular Weight: | 198.21 |
Molecular Formula: | C10H14O4 |
Canonical SMILES: | COC(=O)C12CCC(C1)(CC2)C(=O)O |
InChI: | InChI=1S/C10H14O4/c1-14-8(13)10-4-2-9(6-10,3-5-10)7(11)12/h2-6H2,1H3,(H,11,12) |
InChI Key: | KVIKABYOBCHKNX-UHFFFAOYSA-N |
References: | Kawai, J., et al. PCT Int. Appl. 244 pp. (2020). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.08920892 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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