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13755-95-8 | 1,4-Naphthalenedione, 2,3-diamino-
CAS No: 13755-95-8 Catalog No: AG0013JZ MDL No:MFCD00462464
Product Description
Catalog Number:
AG0013JZ
Chemical Name:
1,4-Naphthalenedione, 2,3-diamino-
CAS Number:
13755-95-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00462464
IUPAC Name:
2,3-diaminonaphthalene-1,4-dione
InChI:
InChI=1S/C10H8N2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,11-12H2
InChI Key:
YGFBBXYYCLHOOW-UHFFFAOYSA-N
SMILES:
O=C1C(=C(N)C(=O)c2c1cccc2)N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation. | Bioorganic & medicinal chemistry 20140215 |
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