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162112-29-0 | 2-Anthracenecarboxylic acid, 9,10-dihydro-3,8-dihydroxy-7,10-dimethyl-9-oxo- (9CI)
CAS No: 162112-29-0 Catalog No: AG001SRK MDL No:
Product Description
Catalog Number:
AG001SRK
Chemical Name:
2-Anthracenecarboxylic acid, 9,10-dihydro-3,8-dihydroxy-7,10-dimethyl-9-oxo- (9CI)
CAS Number:
162112-29-0
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
IUPAC Name:
3,8-dihydroxy-7,10-dimethyl-9-oxo-10H-anthracene-2-carboxylic acid
InChI:
InChI=1S/C17H14O5/c1-7-3-4-9-8(2)10-6-13(18)12(17(21)22)5-11(10)16(20)14(9)15(7)19/h3-6,8,18-19H,1-2H3,(H,21,22)
InChI Key:
BGIVZBXTQZTVHZ-UHFFFAOYSA-N
SMILES:
O=C1c2cc(C(=O)O)c(cc2C(c2c1c(O)c(C)cc2)C)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
298.294g/mol
Monoisotopic Mass:
298.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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