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128054-51-3 | Phenanthrene, 2,4-bis(1,1-dimethylethyl)-5,7-dimethyl-
CAS No: 128054-51-3 Catalog No: AG000XQN MDL No:
Product Description
Catalog Number:
AG000XQN
Chemical Name:
Phenanthrene, 2,4-bis(1,1-dimethylethyl)-5,7-dimethyl-
CAS Number:
128054-51-3
Molecular Formula:
C24H30
Molecular Weight:
318.4950
IUPAC Name:
2,4-ditert-butyl-5,7-dimethylphenanthrene
InChI:
InChI=1S/C24H30/c1-15-11-16(2)21-17(12-15)9-10-18-13-19(23(3,4)5)14-20(22(18)21)24(6,7)8/h9-14H,1-8H3
InChI Key:
CBLKMVJRKDBYRV-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)ccc1c2c(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.235g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.504g/mol
Monoisotopic Mass:
318.235g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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