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Home > Other Heterocycles > 1408074-51-0
1408074-51-0 | 1-Oxa-6-azaspiro[3.4]octane, ethanedioate (1:1)
CAS No: 1408074-51-0 Catalog No: AG001CTC MDL No:MFCD23702014
Product Description
Catalog Number:
AG001CTC
Chemical Name:
1-Oxa-6-azaspiro[3.4]octane, ethanedioate (1:1)
CAS Number:
1408074-51-0
Molecular Formula:
C8H13NO5
Molecular Weight:
203.1925
MDL Number:
MFCD23702014
IUPAC Name:
1-oxa-7-azaspiro[3.4]octane;oxalic acid
InChI:
InChI=1S/C6H11NO.C2H2O4/c1-3-7-5-6(1)2-4-8-6;3-1(4)2(5)6/h7H,1-5H2;(H,3,4)(H,5,6)
InChI Key:
ZKTJFOHJBNDMDS-UHFFFAOYSA-N
SMILES:
N1CCC2(C1)CCO2.OC(=O)C(=O)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
203.194g/mol
Monoisotopic Mass:
203.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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