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3'-acetyl-[1,1'-biphenyl]-4-carboxylic acid

3'-acetyl-[1,1'-biphenyl]-4-carboxylic acid

CAS: 199678-04-1

Formula: C15H12O3

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

IUPAC: 3'-acetyl-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C15H12O3/c1-10(16)13-3-2-4-14(9-13)11-5-7-12(8-6-11)15(17)18/h2-9H,1H3,(H,17,18)

Composition: C (74.99%), H (5.03%), O (19.98%)

Molar Mass: 240.258

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 240.078644246
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NNPZXRZBAVBTGL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.85
Topological Polar Surface Area 54.37
Polarizability 27.34
Ring Count 2
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 199678-04-1 $178.25-$617.55$178.25$617.55
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