| CAS Number | 1823373-90-5 |
| Catalog Number | AG019EWZ(AGN-PC-0WQVOV) |
| Chemical Name | 3-ethoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid |
| IUPAC Name | 3-ethoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C9H12O4/c1-2-13-7(12)9-3-8(4-9,5-9)6(10)11/h2-5H2,1H3,(H,10,11) |
| InChI Key | KQTQQSWPWGLXGR-UHFFFAOYSA-N |
| MDL Number | MFCD26406271 |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.1892 |
| SMILES | CCOC(=O)C12CC(C1)(C2)C(=O)O |
| Synonyms | 1823373-90-5,
3-(Ethoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid,
3-ethoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid,
SCHEMBL19357093,
MFCD26406271,
ZINC169795884,
OR20017,
PS-11570,
TZ001023,
CS-0038895,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.191g/mol |
| Monoisotopic Mass | 184.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number