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203662-53-7 | 1-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 2-(hydroxyMethyl)-, 1,1-diMethylethyl ester
CAS No: 203662-53-7 Catalog No: AG00292Y MDL No:MFCD13184495
Product Description
Catalog Number:
AG00292Y
Chemical Name:
1-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 2-(hydroxyMethyl)-, 1,1-diMethylethyl ester
CAS Number:
203662-53-7
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD13184495
IUPAC Name:
tert-butyl 2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
InChI:
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(9-15)17-13/h10,15H,4-9H2,1-3H3
InChI Key:
QSWYTYUGBNTUEW-UHFFFAOYSA-N
SMILES:
OCC1CC2(O1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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