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Home > Other Heterocycles > 693773-35-2
693773-35-2 | 2,5,7-TRIAZASPIRO[3.4]OCTAN-8-ONE
CAS No: 693773-35-2 Catalog No: AG005MUB MDL No:
Product Description
Catalog Number:
AG005MUB
Chemical Name:
2,5,7-TRIAZASPIRO[3.4]OCTAN-8-ONE
CAS Number:
693773-35-2
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
IUPAC Name:
2,5,7-triazaspiro[3.4]octan-8-one
InChI:
InChI=1S/C5H9N3O/c9-4-5(1-6-2-5)8-3-7-4/h6,8H,1-3H2,(H,7,9)
InChI Key:
IFPZLHUTZKYUQT-UHFFFAOYSA-N
SMILES:
O=C1NCNC21CNC2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.075g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
127.147g/mol
Monoisotopic Mass:
127.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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