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26172-81-6 | 1-Anthracenecarboxylic acid, 9,10-dihydro-9-oxo-
CAS No: 26172-81-6 Catalog No: AG002RZX MDL No:
Product Description
Catalog Number:
AG002RZX
Chemical Name:
1-Anthracenecarboxylic acid, 9,10-dihydro-9-oxo-
CAS Number:
26172-81-6
Molecular Formula:
C15H10O3
Molecular Weight:
238.2381
IUPAC Name:
1,9-dioxo-2,10-dihydroanthracene-2-carboxylic acid
InChI:
InChI=1S/C15H10O4/c16-13-10-4-2-1-3-8(10)7-9-5-6-11(15(18)19)14(17)12(9)13/h1-6,11H,7H2,(H,18,19)
InChI Key:
RBAIBIZZEXYXDI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1C(=O)c1c(C2)cccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.241g/mol
Monoisotopic Mass:
254.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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