| CAS Number | 111138-44-4 |
| Catalog Number | AG008WVO(AGN-PC-0NXKQ3) |
| Chemical Name | trans-2-(Methoxycarbonyl)cyclopentanecarboxylic acid |
| IUPAC Name | (1R,2R)-2-methoxycarbonylcyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C8H12O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1 |
| InChI Key | KYGFHAUBFNTXFK-PHDIDXHHSA-N |
| MDL Number | MFCD01311174 |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.1785 |
| SMILES | COC([C@H]1[C@H](C(O)=O)CCC1)=O |
| Synonyms | 111138-44-4,
trans-2-Carbomethoxycyclopentane-1-carboxylic acid,
(1R,2R)-2-(Methoxycarbonyl)cyclopentanecarboxylic acid,
SCHEMBL596153,
DTXSID40445638,
KYGFHAUBFNTXFK-PHDIDXHHSA-N,
ZINC2574399,
MFCD01311174,
rac-trans-cyclopentane-1,2-dicarboxylic acid monomethyl ester,
CID10844912,
trans-2-(methoxycarbonyl)cyclopentanecarboxylic acid,
(1S,2S)-2-methoxycarbonylcyclopentane-1-carboxylic Acid,
1,2-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,2R)-,
111138-68-2,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.18g/mol |
| Monoisotopic Mass | 172.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number