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102251-78-5 | Pyrene, 4,5,9,10-tetrahydro-1-methyl-
CAS No: 102251-78-5 Catalog No: AG00071N MDL No:
Product Description
Catalog Number:
AG00071N
Chemical Name:
Pyrene, 4,5,9,10-tetrahydro-1-methyl-
CAS Number:
102251-78-5
Molecular Formula:
C17H16
Molecular Weight:
220.3089
IUPAC Name:
1-methyl-4,5,9,10-tetrahydropyrene
InChI:
InChI=1S/C17H16/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-6H,7-10H2,1H3
InChI Key:
BVOZNRIEUIOWIV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c3c1CCc1c3c(CC2)ccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.125g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.315g/mol
Monoisotopic Mass:
220.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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