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119014-47-0 | 2,5-Cyclohexadien-1-one, 2-amino-5-hydroxy-4-imino-
CAS No: 119014-47-0 Catalog No: AG000P21 MDL No:
Product Description
Catalog Number:
AG000P21
Chemical Name:
2,5-Cyclohexadien-1-one, 2-amino-5-hydroxy-4-imino-
CAS Number:
119014-47-0
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
4-amino-3-hydroxy-6-iminocyclohexa-2,4-dien-1-one
InChI:
InChI=1S/C6H6N2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H,8H2
InChI Key:
ADKAYVJMDIUNNS-UHFFFAOYSA-N
SMILES:
O=C1C=C(O)C(=N)C=C1N
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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