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Home > Other Heterocycles > 1523606-45-2
1523606-45-2 | 1-Oxa-8-azaspiro[4.5]decane oxalate(2:1)
CAS No: 1523606-45-2 Catalog No: AG003A8S MDL No:MFCD11042294
Product Description
Catalog Number:
AG003A8S
Chemical Name:
1-Oxa-8-azaspiro[4.5]decane oxalate(2:1)
CAS Number:
1523606-45-2
Molecular Formula:
C18H32N2O6
Molecular Weight:
372.4565
MDL Number:
MFCD11042294
IUPAC Name:
1-oxa-8-azaspiro[4.5]decane;oxalic acid
InChI:
InChI=1S/2C8H15NO.C2H2O4/c2*1-2-8(10-7-1)3-5-9-6-4-8;3-1(4)2(5)6/h2*9H,1-7H2;(H,3,4)(H,5,6)
InChI Key:
SLMQVGNERXKRRS-UHFFFAOYSA-N
SMILES:
N1CCC2(CC1)CCCO2.N1CCC2(CC1)CCCO2.OC(=O)C(=O)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.226g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
372.462g/mol
Monoisotopic Mass:
372.226g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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