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88883-45-8 | Picene, 1-ethyl-1,2,3,4-tetrahydro-9-methyl-
CAS No: 88883-45-8 Catalog No: AG0049XI MDL No:
Product Description
Catalog Number:
AG0049XI
Chemical Name:
Picene, 1-ethyl-1,2,3,4-tetrahydro-9-methyl-
CAS Number:
88883-45-8
Molecular Formula:
C25H24
Molecular Weight:
324.4581
IUPAC Name:
1-ethyl-9-methyl-1,2,3,4-tetrahydropicene
InChI:
InChI=1S/C25H24/c1-3-17-7-5-8-18-10-11-23-22-13-12-19-16(2)6-4-9-20(19)21(22)14-15-24(23)25(17)18/h4,6,9-15,17H,3,5,7-8H2,1-2H3
InChI Key:
VBUOJCSSNMGWJB-UHFFFAOYSA-N
SMILES:
CCC1CCCc2c1c1ccc3c(c1cc2)ccc1c3cccc1C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.188g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.467g/mol
Monoisotopic Mass:
324.188g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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