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(²H?)benzene-1,2-dicarboxylic acid

(²H?)benzene-1,2-dicarboxylic acid

CAS: 87976-26-9

Formula: C8H6O4

SMILES: [2H]C1=C([2H])C(C(O)=O)=C(C([2H])=C1[2H])C(O)=O

IUPAC: (²H?)benzene-1,2-dicarboxylic acid

InChI: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i1D,2D,3D,4D

Composition: C (56.47%), H (1.18%), [2H] (4.73%), O (37.61%)

Molar Mass: 170.156

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 170.051715657
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey XNGIFLGASWRNHJ-RHQRLBAQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.57
Topological Polar Surface Area 74.6
Polarizability 15.08
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 87976-26-9 $57.50-$103.50$57.50$103.50
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 87976-26-9 $137.66-$200.79$137.66$200.79
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