| CAS Number | 1153559-63-7 |
| Catalog Number | AG01B1RV(AGN-PC-0WOTVR) |
| Chemical Name | [(Cyclopropylmethyl)carbamoyl]formic acid |
| IUPAC Name | 2-(cyclopropylmethylamino)-2-oxoacetic acid |
| InChI | InChI=1S/C6H9NO3/c8-5(6(9)10)7-3-4-1-2-4/h4H,1-3H2,(H,7,8)(H,9,10) |
| InChI Key | BUSXSAFJXYHUFF-UHFFFAOYSA-N |
| MDL Number | MFCD12171651 |
| Molecular Formula | C6H9NO3 |
| Molecular Weight | 143.1406 |
| SMILES | OC(C(NCC1CC1)=O)=O |
| Synonyms | [(cyclopropylmethyl)carbamoyl]formic acid,
1153559-63-7,
SCHEMBL4288185,
ZINC35320564,
AKOS009480304,
NE22272,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.142g/mol |
| Monoisotopic Mass | 143.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number