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716-39-2

716-39-2 | Naphtho[2,3-c]furan-1,3-dione

CAS No: 716-39-2 Catalog No: AG0038H1 MDL No:MFCD00059091

Product Description

Catalog Number:
AG0038H1
Chemical Name:
Naphtho[2,3-c]furan-1,3-dione
CAS Number:
716-39-2
Molecular Formula:
C12H6O3
Molecular Weight:
198.1742
MDL Number:
MFCD00059091
IUPAC Name:
benzo[f][2]benzofuran-1,3-dione
InChI:
InChI=1S/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H
InChI Key:
IZJDCINIYIMFGX-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc1ccccc1c2
EC Number:
211-936-6

Properties

Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.032g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.177g/mol
Monoisotopic Mass:
198.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
Chiral discrimination of aliphatic amines and amino alcohols using NMR spectroscopy. Magnetic resonance in chemistry : MRC 20120401

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