| CAS Number | 53183-53-2 |
| Catalog Number | AG00DAJS(AGN-PC-0JTH8O) |
| Chemical Name | 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde |
| IUPAC Name | 4-methyl-2-oxochromene-7-carbaldehyde |
| InChI | InChI=1S/C11H8O3/c1-7-4-11(13)14-10-5-8(6-12)2-3-9(7)10/h2-6H,1H3 |
| InChI Key | UBTIVCZWNKMKAP-UHFFFAOYSA-N |
| MDL Number | MFCD00582536 |
| Molecular Formula | C11H8O3 |
| Molecular Weight | 188.1794 |
| SMILES | C12C=C(C=CC=1C(C)=CC(=O)O2)C=O |
| Synonyms | 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde,
53183-53-2,
4-methyl-2-oxo-2 h-chromene-7-carbaldehyde,
BAS 00507119,
AC1LC59W,
Coumarine, 7-formyl-4-methyl-,
SCHEMBL19309434,
CTK4J7198,
DTXSID90344127,
UBTIVCZWNKMKAP-UHFFFAOYSA-N,
ZINC2566700,
5638AH,
MFCD00582536,
4-methyl-2-oxochromene-7-carbaldehyde,
AKOS000668643,
AJ-41314,
4-Methyl-2-oxo-2H-chromene-7-carbaldehyde #,
W-7348,
C11H8O3,
CID594580,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.182g/mol |
| Monoisotopic Mass | 188.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number