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7180-86-1 | 2,5-dimethoxy-3,6-bis[(2-methylpropyl)amino]cyclohexa-2,5-diene-1,4-dione
CAS No: 7180-86-1 Catalog No: AG005FGN MDL No:
Product Description
Catalog Number:
AG005FGN
Chemical Name:
2,5-dimethoxy-3,6-bis[(2-methylpropyl)amino]cyclohexa-2,5-diene-1,4-dione
CAS Number:
7180-86-1
Molecular Formula:
C16H26N2O4
Molecular Weight:
310.3886
IUPAC Name:
2,5-dimethoxy-3,6-bis(2-methylpropylamino)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C16H26N2O4/c1-9(2)7-17-11-13(19)16(22-6)12(18-8-10(3)4)14(20)15(11)21-5/h9-10,17-18H,7-8H2,1-6H3
InChI Key:
DXWHFYJTJAUAFQ-UHFFFAOYSA-N
SMILES:
COC1=C(NCC(C)C)C(=O)C(=C(C1=O)NCC(C)C)OC
NSC Number:
95127
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.189g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.394g/mol
Monoisotopic Mass:
310.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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