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1330764-06-1 | 5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1330764-06-1 Catalog No: AG001474 MDL No:MFCD20230641
Product Description
Catalog Number:
AG001474
Chemical Name:
5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1330764-06-1
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD20230641
IUPAC Name:
tert-butyl 7-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
InChI:
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-12(8-13)4-9(5-14)6-16-12/h9,14H,4-8H2,1-3H3
InChI Key:
IKNCPKYWSVUNAN-UHFFFAOYSA-N
SMILES:
OCC1COC2(C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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