| CAS Number | 1429777-52-5 |
| Catalog Number | AG00HWRG(AGN-PC-0WCXNF) |
| Chemical Name | tert-butyl n-(3-cyanooxolan-3-yl)carbamate |
| IUPAC Name | tert-butyl N-(3-cyanooxolan-3-yl)carbamate |
| InChI | InChI=1S/C10H16N2O3/c1-9(2,3)15-8(13)12-10(6-11)4-5-14-7-10/h4-5,7H2,1-3H3,(H,12,13) |
| InChI Key | BQRYMWAOQMEASJ-UHFFFAOYSA-N |
| MDL Number | MFCD28502673 |
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.2456 |
| SMILES | CC(OC(NC1(C#N)COCC1)=O)(C)C |
| Synonyms | 1429777-52-5,
tert-butyl n-(3-cyanooxolan-3-yl)carbamate,
tert-butyl (3-cyanotetrahydrofuran-3-yl)carbamate,
BQRYMWAOQMEASJ-UHFFFAOYSA-N,
MFCD28502673,
AKOS025396173,
FCH4124575,
KS-0000088B,
AK173770,
AS-52430,
CS-0048078,
EN300-302315,
Z2523753109,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.249g/mol |
| Monoisotopic Mass | 212.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number