AG003TTF

481-42-5 | 5-Hydroxy-2-methylnaphthalene-1,4-dione

AG003TTF

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CAS Number	481-42-5
Catalog Number	AG003TTF(AGN-PC-0JK9G7)
Chemical Name	5-Hydroxy-2-methylnaphthalene-1,4-dione
EC Number	207-569-6
IUPAC Name	5-hydroxy-2-methylnaphthalene-1,4-dione
InChI	InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
InChI Key	VCMMXZQDRFWYSE-UHFFFAOYSA-N
MDL Number	MFCD00001682
Molecular Formula	C11H8O3
Molecular Weight	188.1794
SMILES	O=C(C1=C2C=CC=C1O)C=C(C)C2=O
UNII	YAS4TBQ4OQ
Synonyms	2-methyl-5-hydroxy-1,4-naphthoquinone, 5-hydroxy-2-methyl-1,4-naphthoquinone, plumbagin, Plumbagin, 481-42-5, Plumbagine, Plumbaein, 5-Hydroxy-2-methyl-1,4-naphthoquinone, Plumbagone, 5-hydroxy-2-methylnaphthalene-1,4-dione, 2-Methyljuglone, 5-Hydroxy-2-methyl-[1,4]naphthoquinone, 5-Hydroxy-2-methyl-1,4-naphthalenedione, 1,4-Naphthalenedione, 5-hydroxy-2-methyl-, 2-Methyl-5-hydroxy-1,4-naphthoquinone, UNII-YAS4TBQ4OQ, NSC 236613, NSC 688284, CCRIS 6671, YAS4TBQ4OQ, EINECS 207-569-6, BRN 1870475, AI3-38055, CHEBI:8273, CHEMBL295316, VCMMXZQDRFWYSE-UHFFFAOYSA-N, 1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-, MFCD00001682, NSC236613, NSC688284, AK-35295, ST069355, 5-Hydroxy-2-methyl-naphthalene-1,4-dione, 5-HYDROXY-2-METHYL-1,4-NAPTHOQUINONE, A1-00788, W-202844, 5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione, SR-05000002263, Pumbagin, Plumbagin, 99+%, AC1L1UPE, RTK1, 1, 5-hydroxy-2-methyl-, SCHEMBL34186, BSPBio_002546, 4-08-00-02376 (Beilstein Handbook Reference), Plumbagin from Plumbago indica, SPECTRUM1505129, GTPL7003, DTXSID8075413, 5-Hydroxy-2-methylnaphthoquinone, ACon1_001611, CTK3J2033, ZINC58187, WLN: L66 BV EVJ C1 GQ, HY-N1497, ZX-AT017261, ACM481425, ANW-41868, BDBM50012070, SBB012388, AKOS015969699, CCG-208032, CCG-208410, FCH1115124, MCULE-9327502882, NSC-236613, NSC-688284, RL03796, RTC-030441, NCGC00094567-01, NCGC00094567-02, NCGC00094567-03, NCGC00094567-04, NCGC00094567-05, NCGC00094567-06, AJ-09824, CC-21846, LS-95646, NCI60_001904, PS-11338, SC-45896, ZB002343, 5-Hydroxy-2-methyl-[1,4]naphthoquin one, 2-methyl-5-oxidanyl-naphthalene-1,4-dione, DB-051524, TC-030441, CS-0017042, FT-0602795, P1139, 5- HYDROXY,2-METHYL-1,4-NAPHTOQUINONE, C10387, K-9170, A827479, C-07762, 1,4-Naphthalenedione, 5-hydroxy-2-methyl- (9CI), SR-05000002263-2, SR-05000002263-3, 1,4-Dihydro-1,4-dioxo-5-hydroxy-2-methylnaphthalene, BRD-K36137799-001-02-4, BRD-K36137799-001-03-2, I14-57333, InChI=1/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H, plumbapin, D0P0IE, C11H8O3, CID10205, C11-H8-O3, ACN-056755, 2-Methyl-5-hydroxy-1 4-naphthoquinone, 5-Hydroxy-2-methyl-1 4-naphthoquinone, 2-Methyl-5-hydroxy-1 4-naphthalenedione, R242, 1,4-Nafthalenodiona, 5-hidroxi-2-metil-, A4456, A15334, 14-Naphthoquinone 5-hydroxy-2-methyl-(7CI8CI), C014758, 1,4-Naftoquinona, 5-hidroxi-2-metil-(7CI, 8CI),

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.047g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.182g/mol
Monoisotopic Mass	188.047g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2923

Certificate of Analysis

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