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Home > Nitro Compounds > 130073-58-4
130073-58-4 | Anthracene, 9-[2-(4-methoxyphenyl)ethynyl]-10-[2-(4-nitrophenyl)ethynyl]-
CAS No: 130073-58-4 Catalog No: AG000TZ1 MDL No:
Product Description
Catalog Number:
AG000TZ1
Chemical Name:
Anthracene, 9-[2-(4-methoxyphenyl)ethynyl]-10-[2-(4-nitrophenyl)ethynyl]-
CAS Number:
130073-58-4
Molecular Formula:
C31H19NO3
Molecular Weight:
453.4875
IUPAC Name:
9-[2-(4-methoxyphenyl)ethynyl]-10-[2-(4-nitrophenyl)ethynyl]anthracene
InChI:
InChI=1S/C31H19NO3/c1-35-25-18-12-23(13-19-25)15-21-31-28-8-4-2-6-26(28)30(27-7-3-5-9-29(27)31)20-14-22-10-16-24(17-11-22)32(33)34/h2-13,16-19H,1H3
InChI Key:
VGDWCEHUCUUVGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#Cc1c2ccccc2c(c2c1cccc2)C#Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
840
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.136g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.497g/mol
Monoisotopic Mass:
453.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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