AG00BYAN

363-03-1 | Phenyl-p-benzoquinone

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CAS Number	363-03-1
Catalog Number	AG00BYAN(AGN-PC-0JK96X)
Chemical Name	Phenyl-p-benzoquinone
EC Number	206-654-5
IUPAC Name	2-phenylcyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
InChI Key	RLQZIECDMISZHS-UHFFFAOYSA-N
MDL Number	MFCD00001599
Molecular Formula	C12H8O2
Molecular Weight	184.1907
NSC Number	2806
RTECS Number	DK6650000
SMILES	O=C1C(=CC(=O)C=C1)c1ccccc1
UNII	KNB6553J7R
Synonyms	phenyl-1,4-quinone, phenyl-4-quinone, phenyl-p-benzoquinone, phenylbenzoquinone, phenylbenzoquinone, ion (1-), phenylquinone, PpBQ cpd, Phenyl-p-benzoquinone, Phenylquinone, 363-03-1, 2-Phenyl-1,4-benzoquinone, Phenylbenzoquinone, 2-Phenylbenzoquinone, Phenyl-1,4-benzoquinone, p-Benzoquinone, 2-phenyl-, 2,5-Cyclohexadiene-1,4-dione, 2-phenyl-, 2-Phenyl-p-benzoquinone, [1,1'-Biphenyl]-2,5-dione, p-BENZOQUINONE, PHENYL-, o-Phenylbenzoquinone, 2-phenylcyclohexa-2,5-diene-1,4-dione, NSC 2806, CCRIS 4280, EINECS 206-654-5, UNII-KNB6553J7R, 2-Phenyl-2,5-cyclohexadiene-1,4-dione, 2-Phenyl-[1,4]benzoquinone, KNB6553J7R, RLQZIECDMISZHS-UHFFFAOYSA-N, Phenyl-p-benzoquinone, 95%, 2-phenylquinone, phenyl p-benzoquinone, PHENYL-p-QUINONE, AC1L1TLG, Phenyl-p-benzoquinone, 5, 2,4-dione, 2-phenyl-, WLN: L6V DVJ XR, 2-Phenylbenzo-1,4-quinone, SCHEMBL26262, 2-Phenylbenzo-1,4-quinone #, AC1Q6I36, CHEMBL274117, DTXSID3059892, BDBM24781, NSC2806, 2-phenyl-1,4-benzoquinone, 10, ZINC155902, NSC-2806, p-Benzoquinone, 2-phenyl- (8CI), SBB057667, AKOS002663214, MCULE-1739437134, LS-40376, ST078008, phenyl-4-quinone, PpBQ cpd, phenyl-1,4-quinone, phenylbenzoquinone, ion (1-), C12H8O2, CID9688, AR-1E4815, C12-H8-O2, MFCD00001599, Phenyl-p-benzoquinone, 99% - 25G 25g, C029322, 3760-54-1,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.052g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.194g/mol
Monoisotopic Mass	184.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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