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159113-89-0 | 2,3,6,7-Anthracenetetracarboxylic acid
CAS No: 159113-89-0 Catalog No: AG001QHP MDL No:
Product Description
Catalog Number:
AG001QHP
Chemical Name:
2,3,6,7-Anthracenetetracarboxylic acid
CAS Number:
159113-89-0
Molecular Formula:
C18H10O8
Molecular Weight:
354.2672
IUPAC Name:
anthracene-2,3,6,7-tetracarboxylic acid
InChI:
InChI=1S/C18H10O8/c19-15(20)11-3-7-1-8-4-12(16(21)22)14(18(25)26)6-10(8)2-9(7)5-13(11)17(23)24/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChI Key:
MRSWDOKCESOYBI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2cc3cc(C(=O)O)c(cc3cc2cc1C(=O)O)C(=O)O
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.038g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
354.27g/mol
Monoisotopic Mass:
354.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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