perylene-3,9-dicarboxylic acid

perylene-3,9-dicarboxylic acid

CAS: 6364-19-8

Formula: C22H12O4

SMILES: OC(=O)C1=CC=C2C3=CC=CC4=C3C(=CC=C4C(O)=O)C3=C2C1=CC=C3

IUPAC: perylene-3,9-dicarboxylic acid

InChI: InChI=1S/C22H12O4/c23-21(24)17-9-8-16-12-4-2-6-14-18(22(25)26)10-7-15(20(12)14)11-3-1-5-13(17)19(11)16/h1-10H,(H,23,24)(H,25,26)

Composition: C (77.64%), H (3.55%), O (18.80%)

Molar Mass: 340.334

Atom Count: 38

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	340.073558866
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SDPOODQJUWAHOW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.69
Topological Polar Surface Area	74.6
Polarizability	41.74
Ring Count	5
Rotatable Bond Count	2

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