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3-methoxy-4-[(2-methylphenyl)methoxy]benzoic acid

3-methoxy-4-[(2-methylphenyl)methoxy]benzoic acid

CAS: 938232-46-3

Formula: C16H16O4

SMILES: COC1=C(OCC2=C(C)C=CC=C2)C=CC(=C1)C(O)=O

IUPAC: 3-methoxy-4-[(2-methylphenyl)methoxy]benzoic acid

InChI: InChI=1S/C16H16O4/c1-11-5-3-4-6-13(11)10-20-14-8-7-12(16(17)18)9-15(14)19-2/h3-9H,10H2,1-2H3,(H,17,18)

Composition: C (70.58%), H (5.92%), O (23.50%)

Molar Mass: 272.3

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 272.104858995
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MDPAFLYBGZRDFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.89
Topological Polar Surface Area 55.76
Polarizability 29.04
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 938232-46-3 $134.76$134.76
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