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4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid

4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid

CAS: 1421312-35-7

Formula: C17H13NO4

SMILES: CC1=NC(C(O)=O)=C(O)C2=CC=C(OC3=CC=CC=C3)C=C12

IUPAC: 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid

InChI: InChI=1S/C17H13NO4/c1-10-14-9-12(22-11-5-3-2-4-6-11)7-8-13(14)16(19)15(18-10)17(20)21/h2-9,19H,1H3,(H,20,21)

Composition: C (69.15%), H (4.44%), N (4.74%), O (21.67%)

Molar Mass: 295.294

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 295.084457903
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RQLQUCXIJNHBDY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.05
Topological Polar Surface Area 79.65
Polarizability 31.97
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <10 Days 1421312-35-7 Quote Only
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98% <5 Days 1421312-35-7 $51.70-$226.98$51.70$85.75$226.98
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