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10148-21-7 | Cyanamide, (3,4-dihydro-3,4-dioxo-1-naphthalenyl)- (9CI)
CAS No: 10148-21-7 Catalog No: AG0004L9 MDL No:
Product Description
Catalog Number:
AG0004L9
Chemical Name:
Cyanamide, (3,4-dihydro-3,4-dioxo-1-naphthalenyl)- (9CI)
CAS Number:
10148-21-7
Molecular Formula:
C11H6N2O2
Molecular Weight:
198.1775
IUPAC Name:
(3,4-dioxonaphthalen-1-yl)cyanamide
InChI:
InChI=1S/C11H6N2O2/c12-6-13-9-5-10(14)11(15)8-4-2-1-3-7(8)9/h1-5,13H
InChI Key:
JVEKDDFECSVKFM-UHFFFAOYSA-N
SMILES:
N#CNC1=CC(=O)C(=O)c2c1cccc2
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.181g/mol
Monoisotopic Mass:
198.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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