(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde - CAS 13610-81-6
Catalog: |
BB008300 |
Product Name: |
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde |
CAS: |
13610-81-6 |
Synonyms: |
2-(2-oxo-1,3-benzoxazol-3-yl)acetaldehyde |
IUPAC Name: | 2-(2-oxo-1,3-benzoxazol-3-yl)acetaldehyde |
Description: | (2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde (CAS# 13610-81-6) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C1=CC=C2C(=C1)N(C(=O)O2)CC=O |
InChI: | InChI=1S/C9H7NO3/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,6H,5H2 |
InChI Key: | WQBHOOOBGMMTRI-UHFFFAOYSA-N |
Boiling Point: | 300.2 °C at 760 mmHg |
Density: | 1.341 g/cm3 |
Appearance: | Off-white to light brown solid |
MDL: | MFCD09864427 |
LogP: | 0.79340 |
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-1608627-B1 | Bicyclic anilide spirohydantoin cgrp receptor antagonists | 20030314 |
US-2006211712-A1 | Bicyclic anilide spirohydantoin cgrp receptor antagonists | 20030314 |
US-7202251-B2 | Bicyclic anilide spirohydantoin CGRP receptor antagonists | 20030314 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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