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perylene-3,4,9,10-tetracarboxylic acid

perylene-3,4,9,10-tetracarboxylic acid

CAS: 81-32-3

Formula: C24H12O8

SMILES: OC(=O)C1=CC=C2C3=CC=C(C(O)=O)C4=C(C=CC(C5=CC=C(C(O)=O)C1=C25)=C34)C(O)=O

IUPAC: perylene-3,4,9,10-tetracarboxylic acid

InChI: InChI=1S/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)

Composition: C (67.30%), H (2.82%), O (29.88%)

Molar Mass: 428.352

Atom Count: 44

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 428.053217346
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey FVDOBFPYBSDRKH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.2
Topological Polar Surface Area 149.2
Polarizability 46.23
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 81-32-3 $104.66-$174.02$104.66$174.02
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