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85301-71-9 | 1H-Indene-1,3(2H)-dione, 2-(1-aminoethylidene)-
CAS No: 85301-71-9 Catalog No: AG004UVC MDL No:
Product Description
Catalog Number:
AG004UVC
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(1-aminoethylidene)-
CAS Number:
85301-71-9
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
2-ethanimidoyl-3-hydroxyinden-1-one
InChI:
InChI=1S/C11H9NO2/c1-6(12)9-10(13)7-4-2-3-5-8(7)11(9)14/h2-5,12-13H,1H3
InChI Key:
WHNDIKPOCNISTK-UHFFFAOYSA-N
SMILES:
CC(=C1C(=O)c2c(C1=O)cccc2)N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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