AG00I9V9

553-97-9 | 2,5-Cyclohexadiene-1,4-dione, 2-methyl-

AG00I9V9

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CAS Number	553-97-9
Catalog Number	AG00I9V9(AGN-PC-0JK9VU)
Chemical Name	2,5-Cyclohexadiene-1,4-dione, 2-methyl-
EC Number	209-056-2
IUPAC Name	2-methylcyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChI Key	VTWDKFNVVLAELH-UHFFFAOYSA-N
MDL Number	MFCD00001603
Molecular Formula	C7H6O2
Molecular Weight	122.1213
RTECS Number	DK6300000
SMILES	O=C1C(C)=CC(C=C1)=O
UNII	VF06HB6AZN
Synonyms	2-methyl-1,4-benzoquinone, 2-methyl-p-benzoquinone, methyl-p-benzoquinone, toluquinone, p-Toluquinone, 553-97-9, Methyl-p-benzoquinone, 2-METHYL-1,4-BENZOQUINONE, Toluquinone, Methyl-1,4-benzoquinone, 2-methylcyclohexa-2,5-diene-1,4-dione, 2-Methyl-p-benzoquinone, Tolylquinone, 2-Methylbenzoquinone, 2-Methylquinone, Methylbenzoquinone, 1,4-Toluquinone, Methylquinone, p-Benzoquinone, 2-methyl-, 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 2-Methyl-1,4-quinone, 2-Methylbenzoquinone-1,4, para-Toluquinone, 1,4-Toluchinon, Toluquinone (VAN), 2-Methyl-2,5-cyclohexadiene-1,4-dione, UNII-VF06HB6AZN, 1,4-Toluchinon [Czech], 2-Methyl-1,4-benzochinon, NSC 405002, CCRIS 7148, 1,4-Benzoquinone, 2-methyl-, HSDB 5495, 2-Methyl-1,4-benzochinon [Czech], EINECS 209-056-2, MFCD00001603, VF06HB6AZN, 2-Methylbenzo-1,4-quinone, 2-Methyl-[1,4]benzoquinone, AI3-14931, VTWDKFNVVLAELH-UHFFFAOYSA-N, O-methyl benzoquinone, 2,4-dione, 2-methyl-, WLN: L6V DVJ B1, Toluchinon, Methyl-p-quinone, 2-methyl benzoquinone, PubChem14604, AC1L1WNZ, NSC1, NSC-1, SCHEMBL49207, Methyl-p-benzoquinone, 98%, KSC603K4H, 2-Methylbenzo-1,4-quinone #, ARONIS003206, CHEMBL358225, DTXSID8060290, 2-methyl-1,4-benzoquinone, 9, BDBM24780, CTK5A3543, ZINC80829, EBD8348, KS-00003W9H, BBL037012, NSC405002, STK006340, AKOS000492981, MCULE-9650878933, NSC-405002, TRA0068272, KS-00000N54, AK307409, AN-45870, AS-15293, LS-40371, O815, 2,5-Cyclohexadiene-1,4-dione,2-methyl-, FT-0652794, M0159, ST45040001, A830622, I14-5950, W-105565, InChI=1/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H, C7H6O2, C7-H6-O2, CID11122, T1244, Methyl-p-benzoquinone, 99% - 100G 100g, C042889,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	122.037g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	122.123g/mol
Monoisotopic Mass	122.037g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number