AG003VGH

7499-60-7 | 4-Oxo-4-Pyren-1-yl-Butyric Acid

AG003VGH

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CAS Number	7499-60-7
Catalog Number	AG003VGH(AGN-PC-0U6L9C)
Chemical Name	4-Oxo-4-Pyren-1-yl-Butyric Acid
EC Number	231-354-6
IUPAC Name	4-oxo-4-pyren-1-ylbutanoic acid
InChI	InChI=1S/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23)
InChI Key	AAJQTWWVKREOQP-UHFFFAOYSA-N
MDL Number	MFCD00010369
Molecular Formula	C20H14O3
Molecular Weight	302.3234
NSC Number	407628
SMILES	O=C(O)CCC(C1=C(C2=C34)C=CC4=CC=CC3=CC=C2C=C1)=O
Synonyms	4-Oxo-4-pyren-1-yl-butyric acid, 7499-60-7, 4-oxo-4-(pyren-1-yl)butanoic acid, 1-Pyrenebutanoic acid, .gamma.-oxo-, NSC407628, gamma-Oxopyrene-1-butyric acid, 1-Pyrenebutyric acid, .gamma.-oxo-, MLS000757192, 4-Oxo-4-pyren-1-ylbutyric acid, 4-oxo-4-pyren-1-ylbutanoic acid, AAJQTWWVKREOQP-UHFFFAOYSA-N, NSC-407628, 4-oxo-4-pyrenylbutanoic acid, 1-pyrenebutanoic acid, |A-oxo-, 4-Oxo-4-pyren-1-yl-butyricacid, EINECS 231-354-6, PubChem23448, AC1Q5VPP, ss-3-Pyrenoylpropionsaure, AC1L32KC, NCIStruc1_001617, NCIStruc2_001007, gamma-Oxo-1-pyrenebutyric acid, 1-Pyrenebutanoic acid, g-oxo-, AC1Q754J, CHEMBL265698, SCHEMBL3297895, AAJQTWWVKREOQP-UHFFFAOYSA-, CTK5E0872, DTXSID20225950, .gamma.-Oxo-1-pyrenebutyric acid, ZINC154888, 4-oxo-4-pyren-1-yl-butanoic acid, ACT09082, 4-Oxo-4-(1-pyrenyl)butanoic acid, ANW-48075, CCG-36870, MFCD00010369, NCGC00014901, NCI407628, SBB056955, 4-oxo-4-(pyrene-1-yl)-butyric acid, AKOS015894346, 4-Oxo-4-(1-pyrenyl)butanoic acid #, MCULE-1629388690, NCGC00014901-02, NCGC00098002-01, AC-24580, AJ-13403, AS-30142, BR-42730, NCI60_003889, SMR000529038, 4-Oxo-4-(1-pyrenyl)butyric acid, 97%, AB0007379, DB-055928, TC-136820, A9576, FT-0636512, ST24029198, ST50989912, W8253, EN300-66329, KS-00001975, A-2143, gamma-Oxo-1-pyrenebutyric acid, technical grade, I04-9577, Z1270312069, InChI=1/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23), |A-Oxo-1-pyrenebutyric acid, C20H14O3, CID82011, NSC26816, AR-1C5577, ACN-055684, C20-H14-O3, 78751-40-3,

Complexity	485
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.094g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.329g/mol
Monoisotopic Mass	302.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number