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Home > Nitro Compounds > 115664-49-8
115664-49-8 | Benzo[9,10]pyreno[4,5-b]oxirene, 3b,4a-dihydro-1-nitro-
CAS No: 115664-49-8 Catalog No: AG000GQ3 MDL No:
Product Description
Catalog Number:
AG000GQ3
Chemical Name:
Benzo[9,10]pyreno[4,5-b]oxirene, 3b,4a-dihydro-1-nitro-
CAS Number:
115664-49-8
Molecular Formula:
C20H11NO3
Molecular Weight:
313.3062
IUPAC Name:
9-nitro-14-oxahexacyclo[10.7.2.02,7.08,21.013,15.016,20]henicosa-1(20),2,4,6,8,10,12(21),16,18-nonaene
InChI:
InChI=1S/C20H11NO3/c22-21(23)15-9-8-14-18-16-11(6-3-7-13(16)19-20(14)24-19)10-4-1-2-5-12(10)17(15)18/h1-9,19-20H
InChI Key:
YXCUTAHELJGPFG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(C3C2O3)ccc1
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.074g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.312g/mol
Monoisotopic Mass:
313.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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