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Home > Nitro Compounds > 115084-29-2
115084-29-2 | 4,5,9,10-Pyrenetetrol, 4,5,9,10-tetrahydro-1-nitro-
CAS No: 115084-29-2 Catalog No: AG000FVM MDL No:
Product Description
Catalog Number:
AG000FVM
Chemical Name:
4,5,9,10-Pyrenetetrol, 4,5,9,10-tetrahydro-1-nitro-
CAS Number:
115084-29-2
Molecular Formula:
C16H13NO6
Molecular Weight:
315.2775
IUPAC Name:
1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol
InChI:
InChI=1S/C16H13NO6/c18-13-6-2-1-3-7-10(6)11-8(14(13)19)4-5-9(17(22)23)12(11)16(21)15(7)20/h1-5,13-16,18-21H
InChI Key:
ZINIYTPSXNBZPL-UHFFFAOYSA-N
SMILES:
OC1c2cccc3c2c2c(C1O)c(ccc2C(C3O)O)[N+](=O)[O-]
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.074g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
315.281g/mol
Monoisotopic Mass:
315.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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