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4-methoxy-3-(3-methylphenoxymethyl)benzoic acid

4-methoxy-3-(3-methylphenoxymethyl)benzoic acid

CAS: 438220-78-1

Formula: C16H16O4

SMILES: COC1=CC=C(C=C1COC1=CC=CC(C)=C1)C(O)=O

IUPAC: 4-methoxy-3-[(3-methylphenoxy)methyl]benzoic acid

InChI: InChI=1S/C16H16O4/c1-11-4-3-5-14(8-11)20-10-13-9-12(16(17)18)6-7-15(13)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 KMWJNHRFMMKBQQ-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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95% <7 Days 438220-78-1 $39.00$39.00
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