| CAS Number | 113238-61-2 |
| Catalog Number | AG007ST4(AGN-PC-02O0KU) |
| Chemical Name | Tert-butyl 2-isocyanatoacetate |
| IUPAC Name | tert-butyl 2-isocyanatoacetate |
| InChI | InChI=1S/C7H11NO3/c1-7(2,3)11-6(10)4-8-5-9/h4H2,1-3H3 |
| InChI Key | JPGTZLMGEUIJGV-UHFFFAOYSA-N |
| MDL Number | MFCD24450694 |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.1671 |
| SMILES | CC(OC(CN=C=O)=O)(C)C |
| Synonyms | tert-butyl 2-isocyanatoacetate,
113238-61-2,
Acetic acid, isocyanato-, 1,1-dimethylethyl ester,
ACMC-20mhoh,
SCHEMBL2889944,
CTK0D0219,
DTXSID40603291,
JPGTZLMGEUIJGV-UHFFFAOYSA-N,
ZINC59296463,
tert-Butyl N-(oxomethylidene)glycinate,
FT-0705016,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.169g/mol |
| Monoisotopic Mass | 157.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number