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2-{4',7'-dimethyl-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

2-{4',7'-dimethyl-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

Formula: C15H16N2O3

SMILES: CC1=C2N(CC#N)C(=O)C3(OCCCO3)C2=C(C)C=C1

IUPAC: 2-{4',7'-dimethyl-2'-oxo-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

InChI: InChI=1S/C15H16N2O3/c1-10-4-5-11(2)13-12(10)15(19-8-3-9-20-15)14(18)17(13)7-6-16/h4-5H,3,7-9H2,1-2H3

Composition: C (66.16%), H (5.92%), N (10.29%), O (17.63%)

Molar Mass: 272.304

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 272.116092383
Formal Charge 0
FSP3 0.47
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey FJXJGDHEXFEMSM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.13
Topological Polar Surface Area 62.56
Polarizability 27.73
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H16N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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