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197632-56-7 | Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 4-amino-
CAS No: 197632-56-7 Catalog No: AG002AX0 MDL No:
Product Description
Catalog Number:
AG002AX0
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 4-amino-
CAS Number:
197632-56-7
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
4-aminobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
InChI:
InChI=1S/C8H7NO/c9-6-2-1-5-3-8(10)7(5)4-6/h1-2,4H,3,9H2
InChI Key:
DZAOTIANDBABAR-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C(=O)C2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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