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86539-55-1

86539-55-1 | Naphtho[2,1-b]furan-8-ol, 2-nitro-

CAS No: 86539-55-1 Catalog No: AG004LX1 MDL No:

Product Description

Catalog Number:
AG004LX1
Chemical Name:
Naphtho[2,1-b]furan-8-ol, 2-nitro-
CAS Number:
86539-55-1
Molecular Formula:
C12H7NO4
Molecular Weight:
229.1883
IUPAC Name:
2-nitrobenzo[e][1]benzofuran-8-ol
InChI:
InChI=1S/C12H7NO4/c14-8-3-1-7-2-4-11-10(9(7)5-8)6-12(17-11)13(15)16/h1-6,14H
InChI Key:
ONBAIQDMFYXRAC-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c1cc(oc1cc2)[N+](=O)[O-]

Properties

Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.038g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.191g/mol
Monoisotopic Mass:
229.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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