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2'-methyl-[1,1'-biphenyl]-3,4'-dicarboxylic acid

2'-methyl-[1,1'-biphenyl]-3,4'-dicarboxylic acid

CAS: 1261910-15-9

Formula: C15H12O4

SMILES: CC1=CC(=CC=C1C1=CC=CC(=C1)C(O)=O)C(O)=O

IUPAC: 2'-methyl-[1,1'-biphenyl]-3,4'-dicarboxylic acid

InChI: InChI=1S/C15H12O4/c1-9-7-12(15(18)19)5-6-13(9)10-3-2-4-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)

Composition: C (70.31%), H (4.72%), O (24.97%)

Molar Mass: 256.257

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 256.073558866
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CXYZKFMQBLJPQG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.75
Topological Polar Surface Area 74.6
Polarizability 27.68
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1261910-15-9 $734.85-$2,691.00$734.85$2,691.00
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