| CAS Number | 1194700-73-6 |
| Catalog Number | AG0096LQ(AGN-PC-0WCTWB) |
| Chemical Name | 5-HYDROXY-4-METHYL-2-BENZOFURAN-1(3H)-ONE |
| IUPAC Name | 5-hydroxy-4-methyl-3H-2-benzofuran-1-one |
| InChI | InChI=1S/C9H8O3/c1-5-7-4-12-9(11)6(7)2-3-8(5)10/h2-3,10H,4H2,1H3 |
| InChI Key | XCLSUJASPNFYRV-UHFFFAOYSA-N |
| MDL Number | MFCD24729793 |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.1580 |
| SMILES | OC=1C(=C2COC(C2=CC1)=O)C |
| Synonyms | 1194700-73-6,
5-hydroxy-4-methylisobenzofuran-1(3H)-one,
5-Hydroxy-4-methyl-2-benzofuran-1(3H)-one,
5-hydroxy-4-methyl-3H-isobenzofuran-1-one,
SCHEMBL286648,
XCLSUJASPNFYRV-UHFFFAOYSA-N,
MFCD24729793,
AKOS027423901,
ZINC113484982,
FCH2051492,
AK475524,
DA-14694,
DS-18875,
5-hydroxy-4-methyl-3H-2-benzofuran-1-one,
CS-0028397,
FT-0765229,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.16g/mol |
| Monoisotopic Mass | 164.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number