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130659-08-4 | Acetamide, N-(4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-
CAS No: 130659-08-4 Catalog No: AG000UR6 MDL No:
Product Description
Catalog Number:
AG000UR6
Chemical Name:
Acetamide, N-(4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-
CAS Number:
130659-08-4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
N-(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
InChI:
InChI=1S/C9H9NO4/c1-5(11)10-6-3-8(13)9(14-2)4-7(6)12/h3-4H,1-2H3,(H,10,11)
InChI Key:
AMIIKZGILNYOCG-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=CC1=O)NC(=O)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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