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1363381-18-3

1363381-18-3 | 2-Azaspiro[3.5]nonane-2,7-dicarboxylic acid, 2-(1,1-dimethylethyl) ester

CAS No: 1363381-18-3 Catalog No: AG0011OV MDL No:MFCD22566156

Product Description

Catalog Number:
AG0011OV
Chemical Name:
2-Azaspiro[3.5]nonane-2,7-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
CAS Number:
1363381-18-3
Molecular Formula:
C14H22NO4-
Molecular Weight:
268.3288
MDL Number:
MFCD22566156
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.5]nonane-7-carboxylic acid
InChI:
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-14(9-15)6-4-10(5-7-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChI Key:
CGBNTOUUTCHHQO-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CCC(CC2)C(=O)[O-])OC(C)(C)C

Properties

Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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