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Home > Other Heterocycles > 100131-99-5
100131-99-5 | 3-Azabicyclo[3.2.0]heptane-2,4-dione, 3-butyl-
CAS No: 100131-99-5 Catalog No: AG000119 MDL No:
Product Description
Catalog Number:
AG000119
Chemical Name:
3-Azabicyclo[3.2.0]heptane-2,4-dione, 3-butyl-
CAS Number:
100131-99-5
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
3-butyl-3-azabicyclo[3.2.0]heptane-2,4-dione
InChI:
InChI=1S/C10H15NO2/c1-2-3-6-11-9(12)7-4-5-8(7)10(11)13/h7-8H,2-6H2,1H3
InChI Key:
NTMJGOSNSFYNGY-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)C2C(C1=O)CC2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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