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13755-96-9 | Acetamide, N-(3-amino-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-
CAS No: 13755-96-9 Catalog No: AG0013JY MDL No:
Product Description
Catalog Number:
AG0013JY
Chemical Name:
Acetamide, N-(3-amino-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-
CAS Number:
13755-96-9
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
N-(3-amino-1,4-dioxonaphthalen-2-yl)acetamide
InChI:
InChI=1S/C12H10N2O3/c1-6(15)14-10-9(13)11(16)7-4-2-3-5-8(7)12(10)17/h2-5H,13H2,1H3,(H,14,15)
InChI Key:
IZJNNHJVNPVRHJ-UHFFFAOYSA-N
SMILES:
CC(=O)NC1=C(N)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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