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4-(4-cyanophenoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid

4-(4-cyanophenoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid

CAS: 1142202-02-5

Formula: C13H10N2O4

SMILES: CC1=C(COC2=CC=C(C=C2)C#N)C(=NO1)C(O)=O

IUPAC: 4-[(4-cyanophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

InChI: InChI=1S/C13H10N2O4/c1-8-11(12(13(16)17)15-19-8)7-18-10-4-2-9(6-14)3-5-10/h2-5H,7H2,1H3,(H,16,17)

Composition: C (60.47%), H (3.90%), N (10.85%), O (24.78%)

Molar Mass: 258.233

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 258.06405681
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PLYQSBIOZCYNIS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.33
Topological Polar Surface Area 96.35
Polarizability 24.45
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 1142202-02-5 $269.51$269.51
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