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methyl 3,4,5-tris(benzyloxy)benzoate

methyl 3,4,5-tris(benzyloxy)benzoate

CAS: 70424-94-1

Formula: C29H26O5

SMILES: COC(=O)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1

IUPAC: methyl 3,4,5-tris(benzyloxy)benzoate

InChI: InChI=1S/C29H26O5/c1-31-29(30)25-17-26(32-19-22-11-5-2-6-12-22)28(34-21-24-15-9-4-10-16-24)27(18-25)33-20-23-13-7-3-8-14-23/h2-18H,19-21H2,1H3

Composition: C (76.63%), H (5.77%), O (17.60%)

Molar Mass: 454.522

Atom Count: 60

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 454.178023937
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey MAUSJTNDKNFSEU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 131.31
Topological Polar Surface Area 53.99
Polarizability 51.08
Ring Count 4
Rotatable Bond Count 11

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