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20332-02-9 | Phenanthrene, 9,9'-(1,2-ethynediyl)bis-
CAS No: 20332-02-9 Catalog No: AG0028UD MDL No:
Product Description
Catalog Number:
AG0028UD
Chemical Name:
Phenanthrene, 9,9'-(1,2-ethynediyl)bis-
CAS Number:
20332-02-9
Molecular Formula:
C30H18
Molecular Weight:
378.4639
IUPAC Name:
9-(2-phenanthren-9-ylethynyl)phenanthrene
InChI:
InChI=1S/C30H18/c1-3-11-25-21(9-1)19-23(27-13-5-7-15-29(25)27)17-18-24-20-22-10-2-4-12-26(22)30-16-8-6-14-28(24)30/h1-16,19-20H
InChI Key:
WTSAPRMRSURNEE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(C#Cc1cc3ccccc3c3c1cccc3)cc1c2cccc1
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.474g/mol
Monoisotopic Mass:
378.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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