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121847-07-2 | 1H-Cyclopenta[3,4]cyclobuta[1,2-b]pyridine (9CI)
CAS No: 121847-07-2 Catalog No: AG00165F MDL No:
Product Description
Catalog Number:
AG00165F
Chemical Name:
1H-Cyclopenta[3,4]cyclobuta[1,2-b]pyridine (9CI)
CAS Number:
121847-07-2
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
IUPAC Name:
8-azatricyclo[5.4.0.02,6]undeca-1(11),2,4,6,9-pentaene
InChI:
InChI=1S/C10H7N/c1-3-7-8(4-1)10-9(7)5-2-6-11-10/h1-6,11H
InChI Key:
SKMFYKWPQASKBH-UHFFFAOYSA-N
SMILES:
c1ccc2c(=C3C2=CC=C3)[nH]1
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:
1
Isotope Atom Count:
0
Molecular Weight:
141.173g/mol
Monoisotopic Mass:
141.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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