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Home > Other Heterocycles > 1706457-37-5
1706457-37-5 | 1-Azaspiro[3.3]heptane oxalate
CAS No: 1706457-37-5 Catalog No: AG00HZFO MDL No:MFCD22378842
Product Description
Catalog Number:
AG00HZFO
Chemical Name:
1-Azaspiro[3.3]heptane oxalate
CAS Number:
1706457-37-5
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD22378842
IUPAC Name:
1-azaspiro[3.3]heptane;oxalic acid
InChI:
InChI=1S/C6H11N.C2H2O4/c1-2-6(3-1)4-5-7-6;3-1(4)2(5)6/h7H,1-5H2;(H,3,4)(H,5,6)
InChI Key:
DTRPZGPEQYYHHU-UHFFFAOYSA-N
SMILES:
C1CC2(C1)CCN2.OC(=O)C(=O)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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