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85968-01-0 | 1H-Perimidine, 2-ethenyl-
CAS No: 85968-01-0 Catalog No: AG004QBT MDL No:
Product Description
Catalog Number:
AG004QBT
Chemical Name:
1H-Perimidine, 2-ethenyl-
CAS Number:
85968-01-0
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
2-ethenyl-1H-perimidine
InChI:
InChI=1S/C13H10N2/c1-2-12-14-10-7-3-5-9-6-4-8-11(15-12)13(9)10/h2-8H,1H2,(H,14,15)
InChI Key:
XYOJTCIACRNABV-UHFFFAOYSA-N
SMILES:
C=Cc1nc2cccc3c2c([nH]1)ccc3
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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