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80827-62-9 | 8-Azaspiro[4.5]decane-7,9-dione, 8-(4-bromobutyl)-
CAS No: 80827-62-9 Catalog No: AG005IOW MDL No:
Product Description
Catalog Number:
AG005IOW
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-(4-bromobutyl)-
CAS Number:
80827-62-9
Molecular Formula:
C13H20BrNO2
Molecular Weight:
302.2074
IUPAC Name:
8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C13H20BrNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2
InChI Key:
QQCVFKSWYYHXMA-UHFFFAOYSA-N
SMILES:
BrCCCCN1C(=O)CC2(CC1=O)CCCC2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.212g/mol
Monoisotopic Mass:
301.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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