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1779977-63-7 | 1-Azetidinecarboxylic acid, 3-(hydroxymethyl)-3-methoxy-, 1,1-dimethylethyl ester
CAS No: 1779977-63-7 Catalog No: AG0025OR MDL No:
Product Description
Catalog Number:
AG0025OR
Chemical Name:
1-Azetidinecarboxylic acid, 3-(hydroxymethyl)-3-methoxy-, 1,1-dimethylethyl ester
CAS Number:
1779977-63-7
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
tert-butyl 3-(hydroxymethyl)-3-methoxyazetidine-1-carboxylate
InChI:
InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-5-10(6-11,7-12)14-4/h12H,5-7H2,1-4H3
InChI Key:
JNGYMJCVNWIXLH-UHFFFAOYSA-N
SMILES:
COC1(CO)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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