| CAS Number | 321602-27-1 |
| Catalog Number | AG01B1F6(AGN-PC-0O8W56) |
| Chemical Name | 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid |
| IUPAC Name | 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid |
| InChI | InChI=1S/C10H16O4/c1-14-9(13)7-10(6-8(11)12)4-2-3-5-10/h2-7H2,1H3,(H,11,12) |
| InChI Key | WMRCVFGWAKNFMD-UHFFFAOYSA-N |
| MDL Number | MFCD24480112 |
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.2316 |
| SMILES | COC(CC1(CCCC1)CC(O)=O)=O |
| Synonyms | 2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid,
321602-27-1,
SCHEMBL6583167,
ZINC96034572,
AKOS026741367,
MCULE-4785974717,
NE35386,
Z1801361833,
1,1-cyclopentadieneacetic acid monomethyl ester,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.234g/mol |
| Monoisotopic Mass | 200.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number