bis[(4-methylphenyl)methyl] oxalate

bis[(4-methylphenyl)methyl] oxalate

CAS: 18241-31-1

Formula: C18H18O4

SMILES: CC1=CC=C(COC(=O)C(=O)OCC2=CC=C(C)C=C2)C=C1

IUPAC: bis[(4-methylphenyl)methyl] oxalate

InChI: InChI=1S/C18H18O4/c1-13-3-7-15(8-4-13)11-21-17(19)18(20)22-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

Composition: C (72.47%), H (6.08%), O (21.45%)

Molar Mass: 298.338

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	298.12050906
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FPFZBTUMXCSRLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.28
Topological Polar Surface Area	52.6
Polarizability	32.34
Ring Count	2
Rotatable Bond Count	7

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