| CAS Number | 1016534-46-5 |
| Catalog Number | AG019V9B(AGN-PC-0WOW79) |
| Chemical Name | 3-{[(furan-2-yl)methoxy]methyl}aniline |
| IUPAC Name | 3-(furan-2-ylmethoxymethyl)aniline |
| InChI | InChI=1S/C12H13NO2/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7H,8-9,13H2 |
| InChI Key | MVBPXKRSAKNDTQ-UHFFFAOYSA-N |
| MDL Number | MFCD09816043 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | NC1=CC(COCC2OC=CC=2)=CC=C1 |
| Synonyms | 3-[(furan-2-ylmethoxy)methyl]aniline,
1016534-46-5,
AC1Q51O3,
CTK7D9030,
ZINC19272666,
AKOS000153570,
NE14517,
EN300-44140,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number