| CAS Number | 790263-38-6 |
| Catalog Number | AG00ICZO |
| Chemical Name | 1-[4-Methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethanone |
| IUPAC Name | 1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethanone |
| InChI | InChI=1S/C14H19NO2/c1-11(16)12-5-6-14(17-2)13(9-12)10-15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3 |
| InChI Key | PNIIFDNCPPWFAS-UHFFFAOYSA-N |
| MDL Number | MFCD06357354 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | COC1=C(CN2CCCC2)C=C(C(C)=O)C=C1 |
| Synonyms | 790263-38-6,
1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethanone,
1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethan-1-one,
AC1M88DM,
AC1Q4C3Z,
SCHEMBL335214,
CTK7A6129,
ZINC3389655,
MFCD06357354,
AKOS008952685,
MCULE-8137675653,
NE28744,
NCGC00325563-01,
EN300-09595,
AB01320857-02,
Z54750816,
1-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}ethan-1-one,
CID2507835,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number