AG00372W

6364-19-8 | 3,9-Perylenedicarboxylicacid

AG00372W

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CAS Number	6364-19-8
Catalog Number	AG00372W(AGN-PC-0JLSTF)
Chemical Name	3,9-Perylenedicarboxylicacid
EC Number	228-852-0
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
MDL Number	MFCD00082168
Molecular Formula	C22H12O4
Molecular Weight	340.3283
SMILES	C1=CC(=C2C=CC=C3C4=CC=C(C5=CC=CC(C1=C23)=C45)C(=O)O)C(=O)O
Synonyms	3,9-Perylenedicarboxylic acid, perylene-3,9-dicarboxylic acid, 6364-19-8, 3,9-Perylenedicarboxylicacid, W-110121, EINECS 228-852-0, AC1L2ZYL, 3.9-Perylendicarbonsaure, SCHEMBL28007, AC1Q5V67, CTK2F8296, DTXSID40213016, ZINC5845600, AKOS028108519, ACN-051004, FT-0689995, C22H12O4, CID80718, AR-1F0335, C22-H12-O4, 642-05-7,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number