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140837-74-7 | 5,12-Naphthacenedione, 1,2,3-tris(1,1-dimethylethyl)-
CAS No: 140837-74-7 Catalog No: AG001CW9 MDL No:
Product Description
Catalog Number:
AG001CW9
Chemical Name:
5,12-Naphthacenedione, 1,2,3-tris(1,1-dimethylethyl)-
CAS Number:
140837-74-7
Molecular Formula:
C30H34O2
Molecular Weight:
426.5898
IUPAC Name:
1,2,3-tritert-butyltetracene-5,12-dione
InChI:
InChI=1S/C30H34O2/c1-28(2,3)22-16-21-23(25(30(7,8)9)24(22)29(4,5)6)27(32)20-15-18-13-11-10-12-17(18)14-19(20)26(21)31/h10-16H,1-9H3
InChI Key:
KERCUBNQWQHQMN-UHFFFAOYSA-N
SMILES:
O=C1c2cc3ccccc3cc2C(=O)c2c1cc(c(c2C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.256g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.6g/mol
Monoisotopic Mass:
426.256g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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