Home Carboxys 3,9-Perylenedicarboxylicacid

3,9-Perylenedicarboxylicacid

CAS No.:
6364-19-8
Catalog Number:
AG00372W
Molecular Formula:
C22H12O4
Molecular Weight:
340.3283
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Product Description
Catalog Number:
AG00372W
Chemical Name:
3,9-Perylenedicarboxylicacid
CAS Number:
6364-19-8
Molecular Formula:
C22H12O4
Molecular Weight:
340.3283
MDL Number:
MFCD00082168
IUPAC Name:
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)
InChI Key:
SDPOODQJUWAHOW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c3c1cccc3c1c3c2cccc3c(cc1)C(=O)O
EC Number:
228-852-0
Properties
Complexity:
549  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.074g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
340.334g/mol
Monoisotopic Mass:
340.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties