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138754-53-7 | 1,4,8,11-Pentacenetetrone, 6,13-dihexyl-2,3,9,10-tetramethyl-
CAS No: 138754-53-7 Catalog No: AG0019HV MDL No:
Product Description
Catalog Number:
AG0019HV
Chemical Name:
1,4,8,11-Pentacenetetrone, 6,13-dihexyl-2,3,9,10-tetramethyl-
CAS Number:
138754-53-7
Molecular Formula:
C38H42O4
Molecular Weight:
562.7377
IUPAC Name:
6,13-dihexyl-2,3,9,10-tetramethylpentacene-1,4,8,11-tetrone
InChI:
InChI=1S/C38H42O4/c1-7-9-11-13-15-25-27-17-31-33(37(41)23(5)21(3)35(31)39)19-29(27)26(16-14-12-10-8-2)30-20-34-32(18-28(25)30)36(40)22(4)24(6)38(34)42/h17-20H,7-16H2,1-6H3
InChI Key:
HNJTVIULRWWZKQ-UHFFFAOYSA-N
SMILES:
CCCCCCc1c2cc3c(cc2c(c2c1cc1c(c2)C(=O)C(=C(C1=O)C)C)CCCCCC)C(=O)C(=C(C3=O)C)C
Properties
Complexity:
990
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
562.308g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
562.75g/mol
Monoisotopic Mass:
562.308g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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