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methyl 3,4-diethoxybenzoate

methyl 3,4-diethoxybenzoate

CAS: 55919-73-8

Formula: C12H16O4

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

IUPAC: methyl 3,4-diethoxybenzoate

InChI: InChI=1S/C12H16O4/c1-4-15-10-7-6-9(12(13)14-3)8-11(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 ILLNPVIYONXHGS-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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