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139556-86-8 | Coronene, octenyl- (9CI)
CAS No: 139556-86-8 Catalog No: AG001B99 MDL No:
Product Description
Catalog Number:
AG001B99
Chemical Name:
Coronene, octenyl- (9CI)
CAS Number:
139556-86-8
Molecular Formula:
C32H26
Molecular Weight:
410.5488
IUPAC Name:
1-oct-1-enylcoronene
InChI:
InChI=1S/C32H26/c1-2-3-4-5-6-7-8-24-19-25-16-15-22-12-10-20-9-11-21-13-14-23-17-18-26(24)32-30(23)28(21)27(20)29(22)31(25)32/h7-19H,2-6H2,1H3
InChI Key:
NALXGDBRCSRAOR-UHFFFAOYSA-N
SMILES:
CCCCCCC=Cc1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.203g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.56g/mol
Monoisotopic Mass:
410.203g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
11.1
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