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113382-86-8 | Coronene, trimethyl- (9CI)
CAS No: 113382-86-8 Catalog No: AG0008D1 MDL No:
Product Description
Catalog Number:
AG0008D1
Chemical Name:
Coronene, trimethyl- (9CI)
CAS Number:
113382-86-8
Molecular Formula:
C27H18
Molecular Weight:
342.4318
IUPAC Name:
1,2,3-trimethylcoronene
InChI:
InChI=1S/C27H18/c1-13-12-19-9-8-17-5-4-16-6-7-18-10-11-20-14(2)15(3)21(13)27-25(19)23(17)22(16)24(18)26(20)27/h4-12H,1-3H3
InChI Key:
KFXTZRDBGBSXEZ-UHFFFAOYSA-N
SMILES:
Cc1c(C)c2c(C)cc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1
Properties
Complexity:
622
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:
8.6
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