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138754-50-4 | 1,4,8,11-Pentacenetetrone, 2,3,9,10-tetramethyl-
CAS No: 138754-50-4 Catalog No: AG0019HW MDL No:
Product Description
Catalog Number:
AG0019HW
Chemical Name:
1,4,8,11-Pentacenetetrone, 2,3,9,10-tetramethyl-
CAS Number:
138754-50-4
Molecular Formula:
C26H18O4
Molecular Weight:
394.4187
IUPAC Name:
2,3,9,10-tetramethylpentacene-1,4,8,11-tetrone
InChI:
InChI=1S/C26H18O4/c1-11-12(2)24(28)20-8-16-6-18-10-22-21(25(29)13(3)14(4)26(22)30)9-17(18)5-15(16)7-19(20)23(11)27/h5-10H,1-4H3
InChI Key:
FHUFRZCNYKLOQQ-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C)C(=O)c2c1cc1cc3cc4c(cc3cc1c2)C(=O)C(=C(C4=O)C)C)C
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.121g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.426g/mol
Monoisotopic Mass:
394.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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