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87919-72-0 | 1,9-Anthracenedicarboxylic acid, dimethyl ester
CAS No: 87919-72-0 Catalog No: AG004HKC MDL No:
Product Description
Catalog Number:
AG004HKC
Chemical Name:
1,9-Anthracenedicarboxylic acid, dimethyl ester
CAS Number:
87919-72-0
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
dimethyl anthracene-1,9-dicarboxylate
InChI:
InChI=1S/C18H14O4/c1-21-17(19)14-9-5-7-12-10-11-6-3-4-8-13(11)16(15(12)14)18(20)22-2/h3-10H,1-2H3
InChI Key:
UCXVRPZYVHFUHP-UHFFFAOYSA-N
SMILES:
COC(=O)c1c2c(cccc2C(=O)OC)cc2c1cccc2
Properties
Complexity:
433
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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