(3aR,8aS)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one - CAS 135969-65-2
Catalog: |
BB008262 |
Product Name: |
(3aR,8aS)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one |
CAS: |
135969-65-2 |
Synonyms: |
(3aS,8bR)-1,3a,4,8b-tetrahydroindeno[1,2-d]oxazol-2-one; (3aS,8bR)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one |
IUPAC Name: | (3aS,8bR)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one |
Description: | (3aR,8aS)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one (CAS# 135969-65-2 ) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | C1C2C(C3=CC=CC=C31)NC(=O)O2 |
InChI: | InChI=1S/C10H9NO2/c12-10-11-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4,8-9H,5H2,(H,11,12)/t8-,9+/m0/s1 |
InChI Key: | XWZLNPUWNUTPAU-DTWKUNHWSA-N |
Boiling Point: | 434.973 ℃ at 760 mmHg |
Melting Point: | 203-209 ℃ |
Density: | 1.285 g/cm3 |
Storage: | Keep cold. |
MDL: | MFCD00674088 |
LogP: | 1.03220 |
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 |
EP-2821389-A1 | Production method for compound comprising amino group and/or hydroxyl group | 20120302 |
US-2015105559-A1 | Production method for compound comprising amino group and/or hydroxyl group | 20120302 |
US-9278905-B2 | Production method for compound comprising amino group and/or hydroxyl group | 20120302 |
AU-2006214118-B2 | Kappa opioid receptor ligands | 20050217 |
CA-2598416-A1 | Kappa opioid receptor ligands | 20050217 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Oxazole/Thiazole
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