| CAS Number | 79065-74-0 |
| Catalog Number | AG005CCG(AGN-PC-0WB4EE) |
| Chemical Name | 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid |
| IUPAC Name | 7-ethoxy-2-oxochromene-3-carboxylic acid |
| InChI | InChI=1S/C12H10O5/c1-2-16-8-4-3-7-5-9(11(13)14)12(15)17-10(7)6-8/h3-6H,2H2,1H3,(H,13,14) |
| InChI Key | YDYPFONHKLFGFK-UHFFFAOYSA-N |
| MDL Number | MFCD08691745 |
| Molecular Formula | C12H10O5 |
| Molecular Weight | 234.2048 |
| SMILES | C1(C(O)=O)=CC2=CC=C(C=C2OC1=O)OCC |
| Synonyms | 7-ETHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID,
79065-74-0,
7-Ethoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid,
7-ethoxy-2-oxochromene-3-carboxylic acid,
SCHEMBL17704676,
CTK5E6405,
DTXSID70586422,
ZX-CM016228,
MFCD08691745,
SBB016749,
ZINC11617480,
AKOS000272850,
MCULE-6525044697,
AJ-59902,
NS-03099,
ST50403510,
Y-4406,
CHEMBRDG-BB5867144,
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| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.207g/mol |
| Monoisotopic Mass | 234.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number