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113615-75-1 | 2H-1-Benzopyran-3-carbonitrile, 4-hydrazinyl-2-oxo-
CAS No: 113615-75-1 Catalog No: AG000958 MDL No:
Product Description
Catalog Number:
AG000958
Chemical Name:
2H-1-Benzopyran-3-carbonitrile, 4-hydrazinyl-2-oxo-
CAS Number:
113615-75-1
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
IUPAC Name:
4-hydrazinyl-2-oxochromene-3-carbonitrile
InChI:
InChI=1S/C10H7N3O2/c11-5-7-9(13-12)6-3-1-2-4-8(6)15-10(7)14/h1-4,13H,12H2
InChI Key:
IIXLDQRXJCURLT-UHFFFAOYSA-N
SMILES:
NNc1c(C#N)c(=O)oc2c1cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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