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16913-30-7 | 2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(2-furanylmethyl)amino]-3,6-dimethoxy-
CAS No: 16913-30-7 Catalog No: AG001YIP MDL No:
Product Description
Catalog Number:
AG001YIP
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(2-furanylmethyl)amino]-3,6-dimethoxy-
CAS Number:
16913-30-7
Molecular Formula:
C18H18N2O6
Molecular Weight:
358.3453
IUPAC Name:
2,5-bis(furan-2-ylmethylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C18H18N2O6/c1-23-17-13(19-9-11-5-3-7-25-11)16(22)18(24-2)14(15(17)21)20-10-12-6-4-8-26-12/h3-8,19-20H,9-10H2,1-2H3
InChI Key:
IRAGIFBFFQIMNH-UHFFFAOYSA-N
SMILES:
COC1=C(NCc2ccco2)C(=O)C(=C(C1=O)NCc1ccco1)OC
NSC Number:
103401
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.35g/mol
Monoisotopic Mass:
358.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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