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1245-91-6 | 1,3-Benzenedicarboxamide, N1,N3-bis(4-hydroxyphenyl)-
CAS No: 1245-91-6 Catalog No: AG000M54 MDL No:
Product Description
Catalog Number:
AG000M54
Chemical Name:
1,3-Benzenedicarboxamide, N1,N3-bis(4-hydroxyphenyl)-
CAS Number:
1245-91-6
Molecular Formula:
C20H16N2O4
Molecular Weight:
348.3520
IUPAC Name:
1-N,3-N-bis(4-hydroxyphenyl)benzene-1,3-dicarboxamide
InChI:
InChI=1S/C20H16N2O4/c23-17-8-4-15(5-9-17)21-19(25)13-2-1-3-14(12-13)20(26)22-16-6-10-18(24)11-7-16/h1-12,23-24H,(H,21,25)(H,22,26)
InChI Key:
TVJTZXWUKGJXND-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)Nc1ccc(cc1)O)Nc1ccc(cc1)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
348.358g/mol
Monoisotopic Mass:
348.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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