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1313369-52-6 | 2-Oxa-7-azaspiro[3.5]nonane, acetate (1:1)
CAS No: 1313369-52-6 Catalog No: AG000VY8 MDL No:MFCD22572306
Product Description
Catalog Number:
AG000VY8
Chemical Name:
2-Oxa-7-azaspiro[3.5]nonane, acetate (1:1)
CAS Number:
1313369-52-6
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD22572306
IUPAC Name:
acetic acid;2-oxa-7-azaspiro[3.5]nonane
InChI:
InChI=1S/C7H13NO.C2H4O2/c1-3-8-4-2-7(1)5-9-6-7;1-2(3)4/h8H,1-6H2;1H3,(H,3,4)
InChI Key:
XJUAPRYBANCHCF-UHFFFAOYSA-N
SMILES:
N1CCC2(CC1)COC2.CC(=O)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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