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Home > Other Heterocycles > 1408076-14-1
1408076-14-1 | 1-Oxa-7-azaspiro[3.5]nonane, ethanedioate (1:1)
CAS No: 1408076-14-1 Catalog No: AG001CUN MDL No:MFCD22575226
Product Description
Catalog Number:
AG001CUN
Chemical Name:
1-Oxa-7-azaspiro[3.5]nonane, ethanedioate (1:1)
CAS Number:
1408076-14-1
Molecular Formula:
C9H15NO5
Molecular Weight:
217.2191
MDL Number:
MFCD22575226
IUPAC Name:
1-oxa-7-azaspiro[3.5]nonane;oxalic acid
InChI:
InChI=1S/C7H13NO.C2H2O4/c1-4-8-5-2-7(1)3-6-9-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6)
InChI Key:
XMCQWXRRRJGCDN-UHFFFAOYSA-N
SMILES:
N1CCC2(CC1)CCO2.OC(=O)C(=O)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.221g/mol
Monoisotopic Mass:
217.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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