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Home > Other Heterocycles > 2044713-00-8
2044713-00-8 | 8-(1-methyl-1H-pyrazol-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane-2,4-dione
CAS No: 2044713-00-8 Catalog No: AG01B5RQ MDL No:MFCD30486575
Product Description
Catalog Number:
AG01B5RQ
Chemical Name:
8-(1-methyl-1H-pyrazol-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane-2,4-dione
CAS Number:
2044713-00-8
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
MDL Number:
MFCD30486575
IUPAC Name:
8-(1-methylpyrazol-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane-2,4-dione
InChI:
InChI=1S/C10H11N3O3/c1-12-5-6(4-11-12)13-7-2-3-8(13)10(15)16-9(7)14/h4-5,7-8H,2-3H2,1H3
InChI Key:
MYNVJXRWLXZDHN-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2N(C1CC2)c1cnn(c1)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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