ethyl anthracene-9-carboxylate

ethyl anthracene-9-carboxylate

CAS: 1754-54-7

Formula: C17H14O2

SMILES: CCOC(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12

IUPAC: ethyl anthracene-9-carboxylate

InChI: InChI=1S/C17H14O2/c1-2-19-17(18)16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-11H,2H2,1H3

Composition: C (81.58%), H (5.64%), O (12.78%)

Molar Mass: 250.297

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	250.099379691
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HAIGJDFIKOFIAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.73
Topological Polar Surface Area	26.3
Polarizability	31.77
Ring Count	3
Rotatable Bond Count	3

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