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1209-99-0 | 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile
CAS No: 1209-99-0 Catalog No: AG0074FY MDL No:
Product Description
Catalog Number:
AG0074FY
Chemical Name:
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile
CAS Number:
1209-99-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanenitrile
InChI:
InChI=1S/C12H12N2O2/c13-4-1-5-14-11(15)9-7-2-3-8(6-7)10(9)12(14)16/h2-3,7-10H,1,5-6H2
InChI Key:
NQNYPVHKUHWNPF-UHFFFAOYSA-N
SMILES:
N#CCCN1C(=O)C2C(C1=O)C1CC2C=C1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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