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203662-48-0 | 6-Azaspiro[3.4]octane-6-carboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 203662-48-0 Catalog No: AG00291Z MDL No:MFCD22419346
Product Description
Catalog Number:
AG00291Z
Chemical Name:
6-Azaspiro[3.4]octane-6-carboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
203662-48-0
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD22419346
IUPAC Name:
tert-butyl 2-(hydroxymethyl)-6-azaspiro[3.4]octane-6-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-5-4-13(9-14)6-10(7-13)8-15/h10,15H,4-9H2,1-3H3
InChI Key:
NADWHBFAGOIEAE-UHFFFAOYSA-N
SMILES:
OCC1CC2(C1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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