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83844-21-7 | Phenanthro[3,4-c]phenanthrene,3-methyl- (9CI)
CAS No: 83844-21-7 Catalog No: AG004VWD MDL No:
Product Description
Catalog Number:
AG004VWD
Chemical Name:
Phenanthro[3,4-c]phenanthrene,3-methyl- (9CI)
CAS Number:
83844-21-7
Molecular Formula:
C27H18
Molecular Weight:
342.4318
IUPAC Name:
7-methylhexahelicene
InChI:
InChI=1S/C27H18/c1-17-16-21-13-12-20-11-10-18-6-2-4-8-23(18)25(20)26(21)27-22(17)15-14-19-7-3-5-9-24(19)27/h2-16H,1H3
InChI Key:
NYCMZBHQDRJVRZ-UHFFFAOYSA-N
SMILES:
Cc1cc2ccc3c(c2c2c1ccc1c2cccc1)c1ccccc1cc3
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.141g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.441g/mol
Monoisotopic Mass:
342.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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