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144691-83-8 | 2,5-Cyclohexadiene-1,4-dione, 2-amino-5-[(3-hydroxyphenyl)amino]-
CAS No: 144691-83-8 Catalog No: AG001K00 MDL No:
Product Description
Catalog Number:
AG001K00
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-amino-5-[(3-hydroxyphenyl)amino]-
CAS Number:
144691-83-8
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
2-amino-5-(3-hydroxyanilino)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C12H10N2O3/c13-9-5-12(17)10(6-11(9)16)14-7-2-1-3-8(15)4-7/h1-6,14-15H,13H2
InChI Key:
MXGIEKKHVDODRU-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)NC1=CC(=O)C(=CC1=O)N
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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