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1245649-50-6 | 2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1245649-50-6 Catalog No: AG000MDC MDL No:MFCD12756136
Product Description
Catalog Number:
AG000MDC
Chemical Name:
2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1245649-50-6
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
MDL Number:
MFCD12756136
IUPAC Name:
tert-butyl 3-(hydroxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-6-4-14(5-7-15)8-11(9-16)18-10-14/h11,16H,4-10H2,1-3H3
InChI Key:
ALDMZOAPVQUUIX-UHFFFAOYSA-N
SMILES:
OCC1OCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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