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1251012-82-4

1251012-82-4 | 5-Azaspiro[2.3]hexane-1,5-dicarboxylic acid, 5-(1,1-dimethylethyl) ester

CAS No: 1251012-82-4 Catalog No: AG000N6L MDL No:MFCD17016192

Product Description

Catalog Number:
AG000N6L
Chemical Name:
5-Azaspiro[2.3]hexane-1,5-dicarboxylic acid, 5-(1,1-dimethylethyl) ester
CAS Number:
1251012-82-4
Molecular Formula:
C11H16NO4-
Molecular Weight:
226.2490
MDL Number:
MFCD17016192
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.3]hexane-2-carboxylic acid
InChI:
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-11(6-12)4-7(11)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChI Key:
YHMUQYORLLKZHP-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CC2C(=O)[O-])OC(C)(C)C

Properties

Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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