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190843-91-5 | Pyrene, 2,7-bis(1,1-dimethylethyl)-4,5,9,10-tetramethoxy-
CAS No: 190843-91-5 Catalog No: AG002EV6 MDL No:
Product Description
Catalog Number:
AG002EV6
Chemical Name:
Pyrene, 2,7-bis(1,1-dimethylethyl)-4,5,9,10-tetramethoxy-
CAS Number:
190843-91-5
Molecular Formula:
C28H34O4
Molecular Weight:
434.5672
IUPAC Name:
2,7-ditert-butyl-4,5,9,10-tetramethoxypyrene
InChI:
InChI=1S/C28H34O4/c1-27(2,3)15-11-17-21-18(12-15)24(30-8)26(32-10)20-14-16(28(4,5)6)13-19(22(20)21)25(31-9)23(17)29-7/h11-14H,1-10H3
InChI Key:
HCNVJZQQUTXOAD-UHFFFAOYSA-N
SMILES:
COc1c2cc(cc3c2c2c(c1OC)cc(cc2c(c3OC)OC)C(C)(C)C)C(C)(C)C
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.246g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.576g/mol
Monoisotopic Mass:
434.246g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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