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Home > Other Heterocycles > 779309-80-7
779309-80-7 | 1,3-Diazaspiro[4.4]non-1-en-4-one,2-phenyl-
CAS No: 779309-80-7 Catalog No: AG0056IK MDL No:MFCD09027906
Product Description
Catalog Number:
AG0056IK
Chemical Name:
1,3-Diazaspiro[4.4]non-1-en-4-one,2-phenyl-
CAS Number:
779309-80-7
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD09027906
IUPAC Name:
2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one
InChI:
InChI=1S/C13H14N2O/c16-12-13(8-4-5-9-13)15-11(14-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15,16)
InChI Key:
UCSYXQRNSALHOK-UHFFFAOYSA-N
SMILES:
O=C1NC(=NC21CCCC2)c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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