| CAS Number | 1678527-98-4 |
| Catalog Number | AG001XNA(AGN-PC-0WNGT7) |
| Chemical Name | Carbamic acid, N-(3-ethynyl-3-oxetanyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(3-ethynyloxetan-3-yl)carbamate |
| InChI | InChI=1S/C10H15NO3/c1-5-10(6-13-7-10)11-8(12)14-9(2,3)4/h1H,6-7H2,2-4H3,(H,11,12) |
| InChI Key | CGTDXHSWFMCFEL-UHFFFAOYSA-N |
| MDL Number | MFCD30531338 |
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.2310 |
| SMILES | CC(C)(C)OC(=O)NC1(COC1)C#C |
| Synonyms | 1678527-98-4,
tert-butyl N-(3-ethynyloxetan-3-yl)carbamate,
tert-Butyl (3-ethynyloxetan-3-yl)carbamate,
SCHEMBL16569355,
3-(Boc-amino)-3-ethynyloxetane,
KS-000005ME,
MFCD30531338,
AKOS030630935,
ZINC575598459,
AS-53635,
t-Butyl N-(3-ethynyloxetan-3-yl)carbamate,
CS-0048076,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.234g/mol |
| Monoisotopic Mass | 197.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number