2-(3,4-dimethylphenyl)-2-oxoethyl acetate

2-(3,4-dimethylphenyl)-2-oxoethyl acetate

CAS: 1134334-96-5

Formula: C12H14O3

SMILES: CC(=O)OCC(=O)C1=CC(C)=C(C)C=C1

IUPAC: 2-(3,4-dimethylphenyl)-2-oxoethyl acetate

InChI: InChI=1S/C12H14O3/c1-8-4-5-11(6-9(8)2)12(14)7-15-10(3)13/h4-6H,7H2,1-3H3

Composition: C (69.89%), H (6.84%), O (23.27%)

Molar Mass: 206.241

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	206.094294311
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BCTORPVQMFXLBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.4
Topological Polar Surface Area	43.37
Polarizability	22.04
Ring Count	1
Rotatable Bond Count	4

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