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Home > Other Heterocycles > 1862898-53-0
1862898-53-0 | 7-(prop-2-yn-1-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CAS No: 1862898-53-0 Catalog No: AG01BNF9 MDL No:MFCD31429272
Product Description
Catalog Number:
AG01BNF9
Chemical Name:
7-(prop-2-yn-1-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CAS Number:
1862898-53-0
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD31429272
IUPAC Name:
7-prop-2-ynyl-1,4-dioxa-7-azaspiro[4.4]nonane
InChI:
InChI=1S/C9H13NO2/c1-2-4-10-5-3-9(8-10)11-6-7-12-9/h1H,3-8H2
InChI Key:
GPSSXVKYDRMNJI-UHFFFAOYSA-N
SMILES:
C#CCN1CCC2(C1)OCCO2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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