2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetic Acid - CAS 106660-11-1
Catalog: |
BB001903 |
Product Name: |
2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetic Acid |
CAS: |
106660-11-1 |
Synonyms: |
2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid; 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid |
IUPAC Name: | 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid |
Description: | 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetic Acid (CAS# 106660-11-1) is a useful research chemical. |
Molecular Weight: | 207.18 |
Molecular Formula: | C10H9NO4 |
Canonical SMILES: | C1=CC=C2C(=C1)NC(=O)C(O2)CC(=O)O |
InChI: | InChI=1S/C10H9NO4/c12-9(13)5-8-10(14)11-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H,11,14)(H,12,13) |
InChI Key: | GBWCBWJRILQTBI-UHFFFAOYSA-N |
Boiling Point: | 497.3 °C at 760 mmHg |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00574012 |
LogP: | 0.99880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2014079850-A1 | Substituted heterocyclic derivatives | 20121123 |
WO-2013136288-A1 | Substituted 3,4-dihydro-2h-benzo[b] [1,4]oxazine compounds as calcium sensing receptor modulators | 20120316 |
MX-2014010668-A | HETEROCICLIC ACETAMIDS REPLACED AS AGONISTS OF THE KAPPA OPIOID RECEIVER (KOR). | 20120305 |
AU-2012232706-A1 | Benzo [b] [1, 4] oxazin derivatives as calcium sensing receptor modulators | 20110318 |
EA-024893-B1 | BENZO [b] [1,4] OXAZINE DERIVATIVES AS A CALCIUM SENSITIVE RECEPTORS MODULATORS | 20110318 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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