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methyl 4-(3,4-dimethylphenoxymethyl)benzoate

methyl 4-(3,4-dimethylphenoxymethyl)benzoate

CAS: 444077-98-9

Formula: C17H18O3

SMILES: COC(=O)C1=CC=C(COC2=CC=C(C)C(C)=C2)C=C1

IUPAC: methyl 4-[(3,4-dimethylphenoxy)methyl]benzoate

InChI: InChI=1S/C17H18O3/c1-12-4-9-16(10-13(12)2)20-11-14-5-7-15(8-6-14)17(18)19-3/h4-10H,11H2,1-3H3

Composition: C (75.53%), H (6.71%), O (17.76%)

Molar Mass: 270.328

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 270.12559444
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NBQKSFFDTFAYSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.24
Topological Polar Surface Area 35.53
Polarizability 30.38
Ring Count 2
Rotatable Bond Count 5

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