1,4-dimethyl naphthalene-1,4-dicarboxylate

1,4-dimethyl naphthalene-1,4-dicarboxylate

CAS: 7487-15-2

Formula: C14H12O4

SMILES: COC(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C12

IUPAC: 1,4-dimethyl naphthalene-1,4-dicarboxylate

InChI: InChI=1S/C14H12O4/c1-17-13(15)11-7-8-12(14(16)18-2)10-6-4-3-5-9(10)11/h3-8H,1-2H3

Composition: C (68.85%), H (4.95%), O (26.20%)

Molar Mass: 244.246

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	244.073558866
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OCSXMIBZIHMVCP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.56
Topological Polar Surface Area	52.6
Polarizability	26.68
Ring Count	2
Rotatable Bond Count	4

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