| CAS Number | 1019352-80-7 |
| Catalog Number | AG01BHBT(AGN-PC-0WOUK8) |
| Chemical Name | 3-(4-amino-3-methylphenoxy)oxolan-2-one |
| IUPAC Name | 3-(4-amino-3-methylphenoxy)oxolan-2-one |
| InChI | InChI=1S/C11H13NO3/c1-7-6-8(2-3-9(7)12)15-10-4-5-14-11(10)13/h2-3,6,10H,4-5,12H2,1H3 |
| InChI Key | QPFDZOSOMYDKGN-UHFFFAOYSA-N |
| MDL Number | MFCD11129337 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | CC1=C(N)C=CC(OC2C(=O)OCC2)=C1 |
| Synonyms | 3-(4-amino-3-methylphenoxy)oxolan-2-one,
1019352-80-7,
AKOS000208064,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number