AG0039UR

3443-45-6 | 1-Pyrenylbutyric acid

AG0039UR

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CAS Number	3443-45-6
Catalog Number	AG0039UR(AGN-PC-0WANLE)
Chemical Name	1-Pyrenylbutyric acid
EC Number	222-354-7
IUPAC Name	4-pyren-1-ylbutanoic acid
InChI	InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
InChI Key	QXYRRCOJHNZVDJ-UHFFFAOYSA-N
MDL Number	MFCD00004141
Molecular Formula	C20H16O2
Molecular Weight	288.3398
NSC Number	30833
SMILES	O=C(O)CCCC1=C(C2=C34)C=CC4=CC=CC3=CC=C2C=C1
UNII	CT0DC64E8Q
Synonyms	1-pyrenebutyrate, 1-pyrenebutyric acid, 4-(1-pyrene)butyric acid, 4-(1-pyrenyl)butyric acid, pyrenebutanoic acid, pyrenebutyric acid, 1-Pyrenebutyric acid, 3443-45-6, 4-(Pyren-1-Yl)Butanoic Acid, 1-Pyrenebutanoic acid, 1-Pyrenylbutyric acid, Pyrene-3-butyric acid, Pyrenebutanoic acid, 4-(1-Pyrenyl)butyric acid, Pyrene-1-butyric acid, pyrenebutyric acid, 4-pyren-1-ylbutanoic acid, gamma-(3-Pyrenyl)butyric acid, MFCD00004141, NSC 30833, UNII-CT0DC64E8Q, CT0DC64E8Q, .gamma.-(3-Pyrenyl)butyric acid, QXYRRCOJHNZVDJ-UHFFFAOYSA-N, 4-pyrenylbutanoic acid, AK122376, 25338-56-1, W-202411, 1-Pyrenebutyric acid, 97+%, 1-Pyrenebutyrate, 1-PYRENEBUTYRICACID, pyrene butyric acid, EINECS 222-354-7, ACMC-1CJNA, ChemDiv3_000296, 4-(1-Pyrene)butyric acid, AC1Q5W1O, AC1Q75DS, 4-(1-Pyrene)butanoic acid, Oprea1_319328, 1-Pyrenebutyric acid, 97%, 4-(1-Pyrenyl)butanoic acid, MLS001181994, SCHEMBL113945, AC1L2S33, 4-(pyrene-1-yl)-butyric acid, CHEMBL1484333, DTXSID4063032, CTK1A6460, QXYRRCOJHNZVDJ-UHFFFAOYSA-, HMS1473N10, HMS2865D19, KS-00000UD9, NSC30833, ZINC1036884, 4148AB, ANW-27874, CCG-55743, NSC-30833, SBB059244, AKOS001570588, ACM3443456, MCULE-9864451912, RTR-014271, IDI1_019614, NCGC00176366-01, AC-27876, AJ-24724, AS-30096, SC-51890, SMR000567713, AX8001156, DB-019338, TR-014271, FT-0608287, P1213, ST50495788, C-18128, SR-01000644752-1, I14-18835, InChI=1/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22), C20H16O2, CID76977, AR-1C5576, C20-H16-O2, 1-Pyrenebutyric acid, 97% - 1G 1g, 35655-28-8,

Complexity	418
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.115g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	288.346g/mol
Monoisotopic Mass	288.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number