Chroman-8-carboxylic Acid - CAS 31457-16-6
Catalog: |
BB020924 |
Product Name: |
Chroman-8-carboxylic Acid |
CAS: |
31457-16-6 |
Synonyms: |
3,4-dihydro-2H-1-benzopyran-8-carboxylic acid; 3,4-dihydro-2H-chromene-8-carboxylic acid |
IUPAC Name: | 3,4-dihydro-2H-chromene-8-carboxylic acid |
Description: | Chroman-8-carboxylic Acid (CAS# 31457-16-6) is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | C1CC2=CC=CC(=C2OC1)C(=O)O |
InChI: | InChI=1S/C10H10O3/c11-10(12)8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5H,2,4,6H2,(H,11,12) |
InChI Key: | LOFOWPRKKPHPDW-UHFFFAOYSA-N |
LogP: | 1.70980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 |
Publication Number | Title | Priority Date |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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