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[3'-(methylcarbamoyl)-[1,1'-biphenyl]-4-yl]acetic acid

[3'-(methylcarbamoyl)-[1,1'-biphenyl]-4-yl]acetic acid

CAS: 1375069-01-4

Formula: C16H15NO3

SMILES: CNC(=O)C1=CC=CC(=C1)C1=CC=C(CC(O)=O)C=C1

IUPAC: 2-[3'-(methylcarbamoyl)-[1,1'-biphenyl]-4-yl]acetic acid

InChI: InChI=1S/C16H15NO3/c1-17-16(20)14-4-2-3-13(10-14)12-7-5-11(6-8-12)9-15(18)19/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)

Composition: C (71.36%), H (5.61%), N (5.20%), O (17.82%)

Molar Mass: 269.3

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.105193347
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RGWAOZXNNHYCTR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.48
Topological Polar Surface Area 66.4
Polarizability 30.13
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1375069-01-4 $409.40-$1,386.90$409.40$1,386.90
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