3-Oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic Acid - CAS 702669-54-3
Catalog: |
BB076489 |
Product Name: |
3-Oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic Acid |
CAS: |
702669-54-3 |
Synonyms: |
3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid; 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic Acid; 1,2,3,4-TETRAHYDRO-3-OXOQUINOXALINE-6-CARBOXYLIC ACID; 3-Oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylicacid |
IUPAC Name: | 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid |
Description: | 3-Oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid (cas# 702669-54-3) is a useful research chemical. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | C1C(=O)NC2=C(N1)C=CC(=C2)C(=O)O |
InChI: | InChI=1S/C9H8N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,10H,4H2,(H,11,12)(H,13,14) |
InChI Key: | KNJZSRZUSLBDSJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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