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181509-97-7 | 3,6-Phenanthrenedicarboxylic acid, 3,6-dimethyl ester
CAS No: 181509-97-7 Catalog No: AG0022X5 MDL No:
Product Description
Catalog Number:
AG0022X5
Chemical Name:
3,6-Phenanthrenedicarboxylic acid, 3,6-dimethyl ester
CAS Number:
181509-97-7
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
dimethyl phenanthrene-3,6-dicarboxylate
InChI:
InChI=1S/C18H14O4/c1-21-17(19)13-7-5-11-3-4-12-6-8-14(18(20)22-2)10-16(12)15(11)9-13/h3-10H,1-2H3
InChI Key:
COIIVYRSSNITFW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c1cc(ccc1cc2)C(=O)OC
Properties
Complexity:
393
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:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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