AG003UT6

490-91-5 | 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione

AG003UT6

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CAS Number	490-91-5
Catalog Number	AG003UT6(AGN-PC-0JK9HE)
Chemical Name	2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione
EC Number	207-721-1
IUPAC Name	2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChI Key	KEQHJBNSCLWCAE-UHFFFAOYSA-N
MDL Number	MFCD00001602
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	2228
SMILES	O=C1C(C(C)C)=CC(C(C)=C1)=O
UNII	O60IE26NUF
Synonyms	2-isopropyl-5-methylbenzoquinone, 2-methyl-5-isopropyl-p-benzoquinone, dihydrothymoquinone, thymoquinone, Thymoquinone, 490-91-5, Thymoquinon, p-Cymene-2,5-dione, 2-Isopropyl-5-methyl-1,4-benzoquinone, 2-Isopropyl-5-methylbenzoquinone, Polythymoquinone, 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)-, 2-Isopropyl-5-methylbenzo-1,4-quinone, 5-Isopropyl-2-methyl-1,4-benzoquinone, NSC 2228, 2-Isopropyl-5-methyl-p-benzoquinone, p-Mentha-3,6-diene-2,5-dione, 2-Methyl-5-isopropyl-p-benzoquinone, CCRIS 7152, 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione, NSC2228, EINECS 207-721-1, UNII-O60IE26NUF, 2-Methyl-5-isopropyl-1,4-benzoquinone, BRN 1939047, O60IE26NUF, 2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl-, AI3-17758, 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione, KEQHJBNSCLWCAE-UHFFFAOYSA-N, 5-Isopropyl-2-methyl-p-benzoquinone, MFCD00001602, p-Mentha-3,6-diene-2,5-dione (8CI), 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione, 2-methyl-5-(methylethyl)cyclohexa-2,5-diene-1,4-dione, thymolquinone, Thymoil, 4hco, p-Mentha-3,5-dione, Spectrum_001237, SpecPlus_000457, Thymoquinone, >=98%, AC1L1UVB, Spectrum2_000700, Spectrum3_001345, Spectrum4_001895, Spectrum5_000550, BSPBio_003129, KBioGR_002455, KBioSS_001717, DivK1c_006553, SCHEMBL542535, SPBio_000859, AC1Q692C, CHEMBL1672002, DTXSID9060079, CTK3J2036, KBio1_001497, KBio2_001717, KBio2_004285, KBio2_006853, KBio3_002349, Thymoquinone, analytical standard, CHEBI:113532, BDBM166686, ZINC164367, BCP16946, NSC-2228, WLN: L6V DVJ B1 EY1&1, 2,4-dione, 5-isopropyl-2-methyl-, ANW-41600, CCG-40027, SBB008296, AKOS003368628, FR-1185, MCULE-9899033250, RTR-030627, NCGC00178250-01, 73940-92-8, AK101679, AS-11327, LS-56283, 2-Isopropyl-5-methylbenzo-1,4-quinone #, TR-030627, 2,4-dione, 2-methyl-5-(1-methylethyl)-, FT-0612708, ST45023960, K-9199, SR-05000002192, 5-Isopropyl-2-methyl-2,5-Cyclohexadiene-1,4-dione, S01-0455, SR-05000002192-2, W-202869, BRD-K97566842-001-03-5, 2-Methyl-5-(prop-2-yl)cyclohexa-2,5-diene-1,4-dione, 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione, 2-methyl-5-(1-methylethyl)-2,5-cyclohexadien-1,4-dione, 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione (F8), 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione, 9CI, InChI=1/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H, dihydrothymoquinone, C10H12O2, Thymoquinone, 98% - 1G 1g, 2-Methyl-5-iso-propylbenzoquinone, CID10281, AR-1L6871, ACN-054288, C10-H12-O2, T0795, 4-07-00-02100 (Beilstein Handbook Reference), C003466, 2-Methyl-5-(1-Methylethyl)cyclohexa-2,5-Diene-1,4-Dione, 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-, homopolymer, 51453-66-8,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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