| CAS Number | 1010422-67-9 |
| Catalog Number | AG019F1V |
| Chemical Name | 2-(Cyclobutylmethyl)malonic acid |
| IUPAC Name | 2-(cyclobutylmethyl)propanedioic acid |
| InChI | InChI=1S/C8H12O4/c9-7(10)6(8(11)12)4-5-2-1-3-5/h5-6H,1-4H2,(H,9,10)(H,11,12) |
| InChI Key | BEFGISLZPBHJDH-UHFFFAOYSA-N |
| MDL Number | MFCD20644070 |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.1785 |
| SMILES | OC(=O)C(CC1CCC1)C(O)=O |
| Synonyms | 2-(cyclobutylmethyl)malonic acid,
1010422-67-9,
2-cyclobutylmethyl malonic acid,
2-cyclobutylmethyl-malonic acid,
SCHEMBL1008671,
BEFGISLZPBHJDH-UHFFFAOYSA-N,
MFCD20644070,
AKOS032961183,
CS-0059722,
|
| Complexity | 181 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.18g/mol |
| Monoisotopic Mass | 172.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number