| CAS Number | 30293-81-3 |
| Catalog Number | AG00BWJO(AGN-PC-0O8QOX) |
| Chemical Name | methyl (2R)-2-isocyanatopropanoate |
| IUPAC Name | methyl (2R)-2-isocyanatopropanoate |
| InChI | InChI=1S/C5H7NO3/c1-4(6-3-7)5(8)9-2/h4H,1-2H3/t4-/m1/s1 |
| InChI Key | ZYILYULSVKLHKZ-SCSAIBSYSA-N |
| MDL Number | MFCD11041436 |
| Molecular Formula | C5H7NO3 |
| Molecular Weight | 129.1140 |
| SMILES | COC([C@H](N=C=O)C)=O |
| Synonyms | 30293-81-3,
AC1OG1WG,
SCHEMBL8377028,
Propionic acid, 2-isocyanato-, methyl ester, D- (8CI),
methyl (2R)-2-isocyanatopropanoate,
ZINC4267146,
Propanoic acid, 2-isocyanato-, methyl ester, (2R)-,
ZINC02556870,
CID7159635,
Methyl (S)-(-)-2-Isocyanatopropionate,
30293-82-4,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.115g/mol |
| Monoisotopic Mass | 129.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number