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Home > Nitro Compounds > 120028-85-5
120028-85-5 | Pyreno[4,5-b]oxirene, 8b,9a-dihydro-4-nitro-
CAS No: 120028-85-5 Catalog No: AG000Q3T MDL No:
Product Description
Catalog Number:
AG000Q3T
Chemical Name:
Pyreno[4,5-b]oxirene, 8b,9a-dihydro-4-nitro-
CAS Number:
120028-85-5
Molecular Formula:
C16H9NO3
Molecular Weight:
263.2476
IUPAC Name:
10-nitro-3-oxapentacyclo[7.6.2.02,4.05,17.012,16]heptadeca-1(15),5,7,9,11,13,16-heptaene
InChI:
InChI=1S/C16H9NO3/c18-17(19)12-7-8-3-1-5-10-13(8)14-9(12)4-2-6-11(14)16-15(10)20-16/h1-7,15-16H
InChI Key:
YRWVKWABBFJKQF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2C1C3O1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.252g/mol
Monoisotopic Mass:
263.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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