| CAS Number | 6093-74-9 |
| Catalog Number | AG00EC2Q(AGN-PC-09CQZL) |
| Chemical Name | 2-Oxo-7-propoxy-2H-chromene-3-carboxylic acid |
| IUPAC Name | 2-oxo-7-propoxychromene-3-carboxylic acid |
| InChI | InChI=1S/C13H12O5/c1-2-5-17-9-4-3-8-6-10(12(14)15)13(16)18-11(8)7-9/h3-4,6-7H,2,5H2,1H3,(H,14,15) |
| InChI Key | SSTDMTGGXAZVTI-UHFFFAOYSA-N |
| MDL Number | MFCD08691746 |
| Molecular Formula | C13H12O5 |
| Molecular Weight | 248.2314 |
| SMILES | C1(C(O)=O)=CC2=CC=C(C=C2OC1=O)OCCC |
| Synonyms | 2-Oxo-7-propoxy-2H-chromene-3-carboxylic acid,
6093-74-9,
CHEMBRDG-BB 5873913,
ZX-CM016238,
MFCD08691746,
ZINC11770622,
AKOS002364380,
MCULE-5173872808,
AJ-60130,
AS-43363,
Y-4407,
CHEMBRDG-BB5873913,
7-propoxy-2H-chromene-3-carboxylic acid,
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| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.234g/mol |
| Monoisotopic Mass | 248.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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