AG004P31

86112-79-0 | 2-Propenoic acid,2-methyl-, 1-pyrenylmethyl ester

AG004P31

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CAS Number	86112-79-0
Catalog Number	AG004P31(AGN-PC-0KZB0E)
Chemical Name	2-Propenoic acid,2-methyl-, 1-pyrenylmethyl ester
IUPAC Name	pyren-1-ylmethyl 2-methylprop-2-enoate
InChI	InChI=1S/C21H16O2/c1-13(2)21(22)23-12-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h3-11H,1,12H2,2H3
InChI Key	BUQDPCFXOBQDLX-UHFFFAOYSA-N
MDL Number	MFCD00673248
Molecular Formula	C21H16O2
Molecular Weight	300.3505
SMILES	CC(C(OCC1=C(C2=C34)C=CC4=CC=CC3=CC=C2C=C1)=O)=C
Synonyms	1-PYRENYLMETHYL METHACRYLATE, 86112-79-0, (1-Pyrene)methyl Methacrylate, 2-Propenoic acid,2-methyl-, 1-pyrenylmethyl ester, PyMMA, PolyFluor 394, AC1MVIM9, SCHEMBL417057, 3-(Methacryloyloxymethyl)pyrene, CTK5F6270, DTXSID80395683, ZINC5225393, AKOS024269999, Methacrylic acid 1-pyrenylmethyl ester, MCULE-3233859683, pyren-1-ylmethyl 2-methylprop-2-enoate, FT-0674176, 2-Methyl-2-propenoic Acid 1-Pyrenylmethyl Ester, 1-Pyrenemethyl methacrylate, contains <100 ppm MEHQ as inhibitor, 99% (GC), ZINC05225393, CID3733478, PyMMA *250 mg* [(1-Pyrene)methyl Methacrylate],

Complexity	482
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.115g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	300.357g/mol
Monoisotopic Mass	300.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H410
Packing Group	Ⅲ
Precautionary statements	P273-P501
UN Code	UN 3077

Certificate of Analysis

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