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141857-63-8 | Cyanamide, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)- (9CI)
CAS No: 141857-63-8 Catalog No: AG001H9B MDL No:
Product Description
Catalog Number:
AG001H9B
Chemical Name:
Cyanamide, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)- (9CI)
CAS Number:
141857-63-8
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
IUPAC Name:
(2-oxo-1H-indol-3-ylidene)cyanamide
InChI:
InChI=1S/C9H5N3O/c10-5-11-8-6-3-1-2-4-7(6)12-9(8)13/h1-4H,(H,11,12,13)
InChI Key:
HGSIXSJTGJGRED-UHFFFAOYSA-N
SMILES:
N#CN=C1C(=O)Nc2c1cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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