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113443-96-2 | Bicyclo[4.2.0]octa-1,3,5,7-tetraen-3-amine
CAS No: 113443-96-2 Catalog No: AG0008ME MDL No:
Product Description
Catalog Number:
AG0008ME
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5,7-tetraen-3-amine
CAS Number:
113443-96-2
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
IUPAC Name:
bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-amine
InChI:
InChI=1S/C8H7N/c9-8-4-3-6-1-2-7(6)5-8/h1-5H,9H2
InChI Key:
BPZRVHLAHLPGMV-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C=C2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.151g/mol
Monoisotopic Mass:
117.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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