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126266-94-2 | 1,3-Propanedione, 2-(diaminomethylene)-1,3-diphenyl-
CAS No: 126266-94-2 Catalog No: AG000SG7 MDL No:
Product Description
Catalog Number:
AG000SG7
Chemical Name:
1,3-Propanedione, 2-(diaminomethylene)-1,3-diphenyl-
CAS Number:
126266-94-2
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
2-benzoyl-3-hydroxy-3-phenylprop-2-enimidamide
InChI:
InChI=1S/C16H14N2O2/c17-16(18)13(14(19)11-7-3-1-4-8-11)15(20)12-9-5-2-6-10-12/h1-10,19H,(H3,17,18)
InChI Key:
GHHAGAONRQSGDN-UHFFFAOYSA-N
SMILES:
NC(=C(C(=O)c1ccccc1)C(=O)c1ccccc1)N
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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