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Home > Nitro Compounds > 88535-51-7
88535-51-7 | Pyrene, 4-methyl-3-nitro-
CAS No: 88535-51-7 Catalog No: AG004588 MDL No:
Product Description
Catalog Number:
AG004588
Chemical Name:
Pyrene, 4-methyl-3-nitro-
CAS Number:
88535-51-7
Molecular Formula:
C17H11NO2
Molecular Weight:
261.2747
IUPAC Name:
10-methyl-1-nitropyrene
InChI:
InChI=1S/C17H11NO2/c1-10-9-13-4-2-3-11-5-6-12-7-8-14(18(19)20)15(10)17(12)16(11)13/h2-9H,1H3
InChI Key:
KXCYTMKHRDSOJY-UHFFFAOYSA-N
SMILES:
Cc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.28g/mol
Monoisotopic Mass:
261.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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