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133208-12-5 | 2,7-Phenanthrenedicarboxylic acid, 9,10-dihydro-, 2,7-diethyl ester
CAS No: 133208-12-5 Catalog No: AG0014EK MDL No:
Product Description
Catalog Number:
AG0014EK
Chemical Name:
2,7-Phenanthrenedicarboxylic acid, 9,10-dihydro-, 2,7-diethyl ester
CAS Number:
133208-12-5
Molecular Formula:
C20H20O4
Molecular Weight:
324.3704
IUPAC Name:
diethyl 9,10-dihydrophenanthrene-2,7-dicarboxylate
InChI:
InChI=1S/C20H20O4/c1-3-23-19(21)15-7-9-17-13(11-15)5-6-14-12-16(8-10-18(14)17)20(22)24-4-2/h7-12H,3-6H2,1-2H3
InChI Key:
WRDIOOMOLDUFQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)CCc1c2ccc(c1)C(=O)OCC
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.376g/mol
Monoisotopic Mass:
324.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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