methyl 3,5-diethoxybenzoate

methyl 3,5-diethoxybenzoate

CAS: 198623-55-1

Formula: C12H16O4

SMILES: CCOC1=CC(=CC(OCC)=C1)C(=O)OC

IUPAC: methyl 3,5-diethoxybenzoate

InChI: InChI=1S/C12H16O4/c1-4-15-10-6-9(12(13)14-3)7-11(8-10)16-5-2/h6-8H,4-5H2,1-3H3

Composition: C (64.27%), H (7.19%), O (28.54%)

Molar Mass: 224.256

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.104858995
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	TWYWKJRUBYVESZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.51
Topological Polar Surface Area	44.76
Polarizability	23.48
Ring Count	1
Rotatable Bond Count	6

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