AG003G13

4584-63-8 | 2,5-Di-tert-pentylcyclohexa-2,5-diene-1,4-dione

AG003G13

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CAS Number	4584-63-8
Catalog Number	AG003G13(AGN-PC-0WCZEH)
Chemical Name	2,5-Di-tert-pentylcyclohexa-2,5-diene-1,4-dione
IUPAC Name	2,5-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C16H24O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10H,7-8H2,1-6H3
InChI Key	DHXFOYLEDAOQRR-UHFFFAOYSA-N
MDL Number	MFCD00142843
Molecular Formula	C16H24O2
Molecular Weight	248.3606
NSC Number	124509
SMILES	O=C1C(C(C)(C)CC)=CC(C(C(C)(C)CC)=C1)=O
Synonyms	2,5-di-t-amyl-p-benzoquinone, 2,5-di-tert-pentyl-p-benzoquinone, DAQ, 2,5-Di-tert-amylbenzoquinone, 4584-63-8, 2,5-Di-tert-amylquinone, 2,5-Di-tert-pentylcyclohexa-2,5-diene-1,4-dione, 2,5-Di-t-amyl-p-benzoquinone, DAQ, 2,5-Di-tert-pentyl-1,4-benzoquinone, NSC 124509, 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione, 2,5-Di-tert-pentyl-p-benzoquinone, p-Benzoquinone, 2,5-di-tert-pentyl-, AC1L3YJX, ACMC-1AQK3, AC1Q692D, SCHEMBL1886441, CTK1D6059, DTXSID90196628, DHXFOYLEDAOQRR-UHFFFAOYSA-N, p-Benzoquinone,5-di-tert-pentyl-, 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylpropyl)-, ZINC1713760, 2,5-di-t-pentyl-1,4-benzoquinone, ANW-30351, MFCD00142843, NSC124509, AKOS015838412, ACM4584638, MCULE-5877894053, NSC-124509, 2,5-Ditert-pentylbenzo-1,4-quinone #, TR-017322, D2152, FT-0743166, 2,4-dione, 2,5-bis(1,1-dimethylpropyl)-, KS-00001603, p-Benzoquinone, 2,5-di-tert-pentyl- (8CI), C-56273, 2,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione, I14-101308, 2,5-BIS-(1,1-DIMETHYL-PROPYL)-(1,4)BENZOQUINONE, 2,5-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylpropyl)- (9CI), CID97456, AR-1D4546, C16-H24-O2, 4919-40-8,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.178g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	248.366g/mol
Monoisotopic Mass	248.178g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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

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