| CAS Number | 72433-26-2 |
| Catalog Number | AG005HKX(AGN-PC-0JTQQD) |
| Chemical Name | 2H-1-Benzopyran-2-one, 4-(hydroxymethyl)-7-methoxy- |
| IUPAC Name | 4-(hydroxymethyl)-7-methoxychromen-2-one |
| InChI | InChI=1S/C11H10O4/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5,12H,6H2,1H3 |
| InChI Key | VWIUIZNOOWXYFW-UHFFFAOYSA-N |
| MDL Number | MFCD08443494 |
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.1947 |
| SMILES | O=C1C=C(CO)C2=C(O1)C=C(OC)C=C2 |
| Synonyms | 4-(Hydroxymethyl)-7-methoxy-2H-chromen-2-one,
72433-26-2,
4-Hydroxymethyl-7-methoxycoumarin,
2H-1-Benzopyran-2-one, 4-(hydroxymethyl)-7-methoxy-,
4-(hydroxymethyl)-7-methoxychromen-2-one,
AC1Q4ESV,
AC1LD0A3,
SCHEMBL3194989,
4-hydroxymethyl-7 methoxycumarin,
CTK2H2487,
DTXSID30346120,
VWIUIZNOOWXYFW-UHFFFAOYSA-N,
ZINC21953161,
AKOS000126252,
MCULE-9935760868,
NE38895,
EN300-62546,
4-(Hydroxymethyl)-7-methoxy-2H-chromen-2-one #,
Z228585754,
CID609819,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.197g/mol |
| Monoisotopic Mass | 206.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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