Home Carboxys 6-Azaspiro[3.4]octane-6-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester

6-Azaspiro[3.4]octane-6-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester

CAS No.:
203662-55-9
Catalog Number:
AG00292X
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG00292X
Chemical Name:
6-Azaspiro[3.4]octane-6-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester
CAS Number:
203662-55-9
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD24857296
IUPAC Name:
tert-butyl 2-formyl-6-azaspiro[3.4]octane-6-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-5-4-13(9-14)6-10(7-13)8-15/h8,10H,4-7,9H2,1-3H3
InChI Key:
AQNPHZHLJTXPKM-UHFFFAOYSA-N
SMILES:
O=CC1CC2(C1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties