| CAS Number | 927802-34-4 |
| Catalog Number | AG01BHX7 |
| Chemical Name | 2-(1-methyl-2-oxopyrrolidin-3-yl)acetic acid |
| IUPAC Name | 2-(1-methyl-2-oxopyrrolidin-3-yl)acetic acid |
| InChI | InChI=1S/C7H11NO3/c1-8-3-2-5(7(8)11)4-6(9)10/h5H,2-4H2,1H3,(H,9,10) |
| InChI Key | BSWMFLPHDUMFNS-UHFFFAOYSA-N |
| MDL Number | MFCD09054765 |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.1671 |
| SMILES | CN1C(=O)C(CC(O)=O)CC1 |
| Synonyms | 2-(1-methyl-2-oxopyrrolidin-3-yl)acetic acid,
927802-34-4,
N-methyl-pyrrolidone=acetic acid,
SCHEMBL17294354,
AKOS006332485,
F8887-2076,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.169g/mol |
| Monoisotopic Mass | 157.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
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