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Home > Pyridines > 114584-70-2
114584-70-2 | 1H-Cyclobuta[b]cyclopenta[e]pyridine (9CI)
CAS No: 114584-70-2 Catalog No: AG000ER7 MDL No:MFCD28044270
Product Description
Catalog Number:
AG000ER7
Chemical Name:
1H-Cyclobuta[b]cyclopenta[e]pyridine (9CI)
CAS Number:
114584-70-2
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
MDL Number:
MFCD28044270
IUPAC Name:
2-azatricyclo[6.3.0.03,6]undeca-1,3,6,8,10-pentaene
InChI:
InChI=1S/C10H7N/c1-2-7-6-8-4-5-10(8)11-9(7)3-1/h1-3,5-6H,4H2
InChI Key:
VNKBRWUBGFZUMN-UHFFFAOYSA-N
SMILES:
C1=Cc2c(=C1)cc1c(=CC1)n2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.173g/mol
Monoisotopic Mass:
141.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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