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5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylic acid

5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylic acid

CAS: 2109802-90-4

Formula: C14H15NO3

SMILES: COC1=CC=C(C=C1C)C1=CC(C)=C(N1)C(O)=O

IUPAC: 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylic acid

InChI: InChI=1S/C14H15NO3/c1-8-6-10(4-5-12(8)18-3)11-7-9(2)13(15-11)14(16)17/h4-7,15H,1-3H3,(H,16,17)

Composition: C (68.56%), H (6.16%), N (5.71%), O (19.57%)

Molar Mass: 245.278

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 245.105193347
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HVVOZKTVWKBJPT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.51
Topological Polar Surface Area 62.32
Polarizability 27.35
Ring Count 2
Rotatable Bond Count 3

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97% <5 Days 2109802-90-4 $68.09-$133.67$68.09$133.67
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