| CAS Number | 394735-19-4 |
| Catalog Number | AG00C6HV(AGN-PC-00BZNA) |
| Chemical Name | tert-butyl (1-cyclobutyl-3-oxopropan-2-yl)carbamate |
| EC Number | 609-696-6 |
| IUPAC Name | tert-butyl N-(1-cyclobutyl-3-oxopropan-2-yl)carbamate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10(8-14)7-9-5-4-6-9/h8-10H,4-7H2,1-3H3,(H,13,15) |
| InChI Key | LVCAPQKMCGHHCC-UHFFFAOYSA-N |
| MDL Number | MFCD22124609 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | CC(OC(NC(C=O)CC1CCC1)=O)(C)C |
| Synonyms | 394735-19-4,
tert-Butyl (1-cyclobutyl-3-oxopropan-2-yl)carbamate,
tert-butyl N-(1-cyclobutyl-3-oxopropan-2-yl)carbamate,
tert-Butyl 1-cyclobutyl-3-oxopropan-2-ylcarbamate,
SCHEMBL3666041,
CTK8C2385,
KS-00001EGP,
DTXSID70468890,
CS-M1246,
5160AB,
ANW-68323,
MFCD22124609,
AS-41927,
TC-157068,
tert-butyl1-cyclobutyl-3-oxopropan-2-ylcarbamate,
t-Butyl (1-cyclobutyl-3-oxopropan-2-yl)carbamate,
(2-cyclobutyl-1-formylethyl)carbamic acid tert-butyl ester,
C12H21NO3,
CID11579497,
tert-Butyl(1-cyclobutyl-3-oxopropan-2-yl)carbamate,
Tert-butyl N-(1-cyclobutyl-3-oxo-propan-2-yl)carbamate,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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