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4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

CAS: 915921-78-7

Formula: C13H14N2O3

SMILES: CC1=CC=CC(=C1)C1=NOC(CCCC(O)=O)=N1

IUPAC: 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

InChI: InChI=1S/C13H14N2O3/c1-9-4-2-5-10(8-9)13-14-11(18-15-13)6-3-7-12(16)17/h2,4-5,8H,3,6-7H2,1H3,(H,16,17)

Composition: C (63.40%), H (5.73%), N (11.38%), O (19.49%)

Molar Mass: 246.266

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.100442319
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DROIFMGZDXPPQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.06
Topological Polar Surface Area 76.22
Polarizability 25.37
Ring Count 2
Rotatable Bond Count 5

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 915921-78-7 $172.62-$423.89$172.62$172.62$423.89$423.89
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ChemBridge Corp.
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 915921-78-7 $58.65-$232.30$58.65$232.30
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