AG003MAG

23912-79-0 | 5,7,12,14-Pentacenetetrone

AG003MAG

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CAS Number	23912-79-0
Catalog Number	AG003MAG(AGN-PC-0JK6ZS)
Chemical Name	5,7,12,14-Pentacenetetrone
IUPAC Name	pentacene-5,7,12,14-tetrone
InChI	InChI=1S/C22H10O4/c23-19-11-5-1-2-6-12(11)20(24)16-10-18-17(9-15(16)19)21(25)13-7-3-4-8-14(13)22(18)26/h1-10H
InChI Key	YZOGOBWHTVNKGA-UHFFFAOYSA-N
MDL Number	MFCD00075209
Molecular Formula	C22H10O4
Molecular Weight	338.3124
SMILES	O=C1C2=CC(C(C3=CC=CC=C3C4=O)=O)=C4C=C2C(C5=C1C=CC=C5)=O
Synonyms	5,7,12,14-Pentacenetetrone, 23912-79-0, pentacene-5,7,12,14-tetrone, MFCD00075209, AC1Q6ORO, 2.3-Phthalylanthrachinon, AC1L1IU2, SCHEMBL796579, ACMC-209g71, CTK1A6015, DTXSID90178626, YZOGOBWHTVNKGA-UHFFFAOYSA-N, ZINC401340, ANW-25259, AKOS004902465, MCULE-9473825823, PENTACENE-5,7,12,14-TETRAONE, TR-036232, P1365, P1710, ST50411303, 912P790, 5,7,12,14-Tetraoxo-5,7,12,14-tetrahydropentacene, I14-57902, 5,7,12,14-TETRAHYDROPENTACENE-5,7,12,14-TETRONE, CID4733, AR-1G6281, ZINC00401340, 24487-50-1,

Complexity	566
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	338.058g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	338.318g/mol
Monoisotopic Mass	338.058g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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