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89810-21-9 | 2(3H)-Furanone, 5-ethyldihydro-3-(tetrahydro-2(1H)-pyrimidinylidene)-
CAS No: 89810-21-9 Catalog No: AG003Y61 MDL No:
Product Description
Catalog Number:
AG003Y61
Chemical Name:
2(3H)-Furanone, 5-ethyldihydro-3-(tetrahydro-2(1H)-pyrimidinylidene)-
CAS Number:
89810-21-9
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
3-(1,3-diazinan-2-ylidene)-5-ethyloxolan-2-one
InChI:
InChI=1S/C10H16N2O2/c1-2-7-6-8(10(13)14-7)9-11-4-3-5-12-9/h7,11-12H,2-6H2,1H3
InChI Key:
CCYATYQZXGCFIK-UHFFFAOYSA-N
SMILES:
CCC1OC(=O)C(=C2NCCCN2)C1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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