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24605-58-1 | 2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(4-methoxyphenyl)amino]-
CAS No: 24605-58-1 Catalog No: AG002OQG MDL No:
Product Description
Catalog Number:
AG002OQG
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(4-methoxyphenyl)amino]-
CAS Number:
24605-58-1
Molecular Formula:
C20H18N2O4
Molecular Weight:
350.3679
IUPAC Name:
2,5-bis(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C20H18N2O4/c1-25-15-7-3-13(4-8-15)21-17-11-20(24)18(12-19(17)23)22-14-5-9-16(26-2)10-6-14/h3-12,21-22H,1-2H3
InChI Key:
IPVQVWWHIYQFKZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC1=CC(=O)C(=CC1=O)Nc1ccc(cc1)OC
NSC Number:
88376
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.374g/mol
Monoisotopic Mass:
350.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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