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1016233-26-3 | 1-Azetidinecarboxylic acid, 2,4-bis(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,4S)-
CAS No: 1016233-26-3 Catalog No: AG0004ZZ MDL No:
Product Description
Catalog Number:
AG0004ZZ
Chemical Name:
1-Azetidinecarboxylic acid, 2,4-bis(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,4S)-
CAS Number:
1016233-26-3
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
tert-butyl (2R,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7(5-12)4-8(11)6-13/h7-8,12-13H,4-6H2,1-3H3/t7-,8+
InChI Key:
ZEVITVQAVGWZKZ-OCAPTIKFSA-N
SMILES:
OC[C@@H]1C[C@@H](N1C(=O)OC(C)(C)C)CO
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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