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139953-61-0 | 9,10-Ethanoanthracene-2,3-dicarboxylic acid, 9,10-dihydro-
CAS No: 139953-61-0 Catalog No: AG001BUP MDL No:
Product Description
Catalog Number:
AG001BUP
Chemical Name:
9,10-Ethanoanthracene-2,3-dicarboxylic acid, 9,10-dihydro-
CAS Number:
139953-61-0
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-4,5-dicarboxylic acid
InChI:
InChI=1S/C18H14O4/c19-17(20)15-7-13-11-5-6-12(10-4-2-1-3-9(10)11)14(13)8-16(15)18(21)22/h1-4,7-8,11-12H,5-6H2,(H,19,20)(H,21,22)
InChI Key:
JGZVATZJRDVPBI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2C3CCC(c2cc1C(=O)O)c1c3cccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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