1,3-dimethyl 4-(acetyloxy)benzene-1,3-dicarboxylate

1,3-dimethyl 4-(acetyloxy)benzene-1,3-dicarboxylate

CAS: 71932-29-1

Formula: C12H12O6

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

IUPAC: 1,3-dimethyl 4-(acetyloxy)benzene-1,3-dicarboxylate

InChI: InChI=1S/C12H12O6/c1-7(13)18-10-5-4-8(11(14)16-2)6-9(10)12(15)17-3/h4-6H,1-3H3

Composition: C (57.14%), H (4.80%), O (38.06%)

Molar Mass: 252.222

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.063388106
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MZBAKPXGINZGLK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.24
Topological Polar Surface Area	78.9
Polarizability	23.72
Ring Count	1
Rotatable Bond Count	6

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