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Home > Other Heterocycles > 770746-47-9
770746-47-9 | (1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CAS No: 770746-47-9 Catalog No: AG00IUI5 MDL No:MFCD12827807
Product Description
Catalog Number:
AG00IUI5
Chemical Name:
(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CAS Number:
770746-47-9
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD12827807
IUPAC Name:
(1R,6S)-2,4-diazabicyclo[4.2.0]octane-3,5-dione
InChI:
InChI=1S/C6H8N2O2/c9-5-3-1-2-4(3)7-6(10)8-5/h3-4H,1-2H2,(H2,7,8,9,10)/t3-,4+/m0/s1
InChI Key:
FIRMRKTYBGULCU-IUYQGCFVSA-N
SMILES:
O=C1N[C@@H]2CC[C@@H]2C(=O)N1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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