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4-[(2-methylphenyl)carbamoyl]butanoic acid

4-[(2-methylphenyl)carbamoyl]butanoic acid

Formula: C12H15NO3

SMILES: CC1=CC=CC=C1NC(=O)CCCC(O)=O

IUPAC: 4-[(2-methylphenyl)carbamoyl]butanoic acid

InChI: InChI=1S/C12H15NO3/c1-9-5-2-3-6-10(9)13-11(14)7-4-8-12(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.105193347
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FDGLRKQOJAIJCL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.46
Topological Polar Surface Area 66.4
Polarizability 23.03
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H15NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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