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2783-57-5 | 2,5-Cyclohexadiene-1,4-dione, 2-amino-
CAS No: 2783-57-5 Catalog No: AG002UVM MDL No:
Product Description
Catalog Number:
AG002UVM
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-amino-
CAS Number:
2783-57-5
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
IUPAC Name:
2-aminocyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C6H5NO2/c7-5-3-4(8)1-2-6(5)9/h1-3H,7H2
InChI Key:
IHXKXSJKLJZXKZ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C(=C1)N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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