| CAS Number | 886362-61-4 |
| Catalog Number | AG00GSM9(AGN-PC-0VMVF7) |
| Chemical Name | N-Boc-beta-alanine-beta-4'-methoxyphenyl-n-carboxyanhydride |
| IUPAC Name | tert-butyl 4-(4-methoxyphenyl)-2,6-dioxo-1,3-oxazinane-3-carboxylate |
| InChI | InChI=1S/C16H19NO6/c1-16(2,3)23-15(20)17-12(9-13(18)22-14(17)19)10-5-7-11(21-4)8-6-10/h5-8,12H,9H2,1-4H3 |
| InChI Key | UNDXQUCUIVJJFK-UHFFFAOYSA-N |
| MDL Number | MFCD03839896 |
| Molecular Formula | C16H19NO6 |
| Molecular Weight | 321.3252 |
| SMILES | O1C(CC(C2C=CC(=CC=2)OC)N(C(=O)OC(C)(C)C)C1=O)=O |
| Synonyms | 886362-61-4,
N-Boc-beta-alanine-beta-4'-methoxyphenyl-N-carboxyanhydride,
tert-butyl 4-(4-methoxyphenyl)-2,6-dioxo-1,3-oxazinane-3-carboxylate,
4-(4-methoxy-phenyl)-2,6-dioxo-[1,3]oxazinane-3-carboxylic acid tert-butyl ester,
tert-butyl-4-(4-methoxyphenyl)-2,6-dioxo-1,3-oxazinane-3-carboxylate,
CTK7A2911,
DTXSID80661456,
MFCD03839896,
AKOS025312459,
CB-1890,
AX8143659,
RT-014341,
X-3868,
N-BOC-BELTA-ALANINE-BELTA-4'-METHOXYPHENYL-N-CARBOXYANHYDRIDE,
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| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.329g/mol |
| Monoisotopic Mass | 321.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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