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117661-43-5 | Naphtho[1,2-b]furan, 6-methoxy-2-nitro-
CAS No: 117661-43-5 Catalog No: AG000HM1 MDL No:
Product Description
Catalog Number:
AG000HM1
Chemical Name:
Naphtho[1,2-b]furan, 6-methoxy-2-nitro-
CAS Number:
117661-43-5
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
IUPAC Name:
6-methoxy-2-nitrobenzo[g][1]benzofuran
InChI:
InChI=1S/C13H9NO4/c1-17-11-4-2-3-10-9(11)6-5-8-7-12(14(15)16)18-13(8)10/h2-7H,1H3
InChI Key:
WSZXIHNALVFBNY-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccc1c2oc(c1)[N+](=O)[O-]
NSC Number:
623722
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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