| CAS Number | 919111-34-5 |
| Catalog Number | AG0068DD(AGN-PC-0FN26U) |
| Chemical Name | 2-Pyrrolidinone, 1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)- |
| IUPAC Name | 1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C14H19NO4/c1-18-12-4-3-11(13(6-12)19-2)8-15-7-10(9-16)5-14(15)17/h3-4,6,10,16H,5,7-9H2,1-2H3 |
| InChI Key | VJPSRVSSKYBSCQ-UHFFFAOYSA-N |
| MDL Number | MFCD19434623 |
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.3050 |
| SMILES | OCC1CC(=O)N(C1)Cc1ccc(cc1OC)OC |
| Synonyms | 919111-34-5,
1-[(2,4-DIMETHOXYPHENYL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-2-ONE,
1-(2,4-Dimethoxybenzyl)-4-(hydroxymethyl)pyrrolidin-2-one,
2-Pyrrolidinone, 1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-,
SCHEMBL2522558,
CTK3H4365,
KS-00001ATM,
DTXSID90734741,
VJPSRVSSKYBSCQ-UHFFFAOYSA-N,
MFCD19434623,
AKOS013528819,
AM805387,
CS-0035797,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.309g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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