| CAS Number | 1554535-00-0 |
| Catalog Number | AG01EK6L |
| Chemical Name | 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid |
| IUPAC Name | 2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid |
| InChI | InChI=1S/C8H12O4/c1-12-7(11)5-8(2-3-8)4-6(9)10/h2-5H2,1H3,(H,9,10) |
| InChI Key | WAWQZYPQMBDLIQ-UHFFFAOYSA-N |
| MDL Number | MFCD31690546 |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.1785 |
| SMILES | COC(CC1(CC1)CC(O)=O)=O |
| Synonyms | SCHEMBL15453519,
WAWQZYPQMBDLIQ-UHFFFAOYSA-N,
ZINC208149711,
(1-Methoxycarbonylmethyl-cyclopropyl)-acetic acid,
2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid,
1554535-00-0,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number