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3-(benzyloxy)-5-methylbenzoic acid

3-(benzyloxy)-5-methylbenzoic acid

CAS: 177991-09-2

Formula: C15H14O3

SMILES: CC1=CC(OCC2=CC=CC=C2)=CC(=C1)C(O)=O

IUPAC: 3-(benzyloxy)-5-methylbenzoic acid

InChI: InChI=1S/C15H14O3/c1-11-7-13(15(16)17)9-14(8-11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)

Composition: C (74.36%), H (5.82%), O (19.81%)

Molar Mass: 242.274

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 242.094294311
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PAHJQWRTENXZHF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.43
Topological Polar Surface Area 46.53
Polarizability 26.52
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 177991-09-2 $883.20$883.20
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