| CAS Number | 345637-74-3 |
| Catalog Number | AG019P7D |
| Chemical Name | 2-[3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid |
| IUPAC Name | 2-[3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid |
| InChI | InChI=1S/C9H13NO5/c1-5-2-8(11)6(3-9(12)13)7(5)4-10(14)15/h5-7H,2-4H2,1H3,(H,12,13) |
| InChI Key | YPCIKCQPODDZAT-UHFFFAOYSA-N |
| MDL Number | MFCD01002103 |
| Molecular Formula | C9H13NO5 |
| Molecular Weight | 215.2032 |
| SMILES | CC1C(C[N+]([O-])=O)C(CC(O)=O)C(=O)C1 |
| Synonyms | 2-[3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid,
86023-17-8,
[3-Methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid,
345637-74-3,
3-METHYL-2-(NITROMETHYL)-5-OXOCYCLOPENTANEACETIC ACID,
AC1MPLOT,
Oprea1_868687,
SCHEMBL3291617,
CTK5F6196,
DTXSID50392023,
AKOS002134190,
MCULE-8344177000,
NE11759,
EU-0033236,
AO-365/43505549,
SR-01000596970,
SR-01000596970-1,
Z271137962,
YPCIKCQPODDZAT-UHFFFAOYSA-N,
CID3387249,
2-[3-methyl-2-(nitromethyl)-5-oxo-cyclopentyl]acetic Acid,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.205g/mol |
| Monoisotopic Mass | 215.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number