AG00IAOI

603-45-2 | 2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-

AG00IAOI

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CAS Number	603-45-2
Catalog Number	AG00IAOI(AGN-PC-0JK74K)
Chemical Name	2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-
EC Number	210-041-8
IUPAC Name	4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
InChI	InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H
InChI Key	FYEHYMARPSSOBO-UHFFFAOYSA-N
MDL Number	MFCD00001624
Molecular Formula	C19H14O3
Molecular Weight	290.3127
NSC Number	7805
SMILES	OC1=CC=C(C=C1)C(=C1C=CC(C=C1)=O)C1=CC=C(C=C1)O
UNII	85N4AK3JAU
Synonyms	aurin, rosolic acid, Aurin, rosolic acid, Corallin, 603-45-2, p-Rosolic acid, Aurine, Spirit Aurine, Corallin Spirit Soluble, 4,4'-Dihydroxyfuchsone, Aurin No. 555, C.I. 43800, 4-(Bis(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone, Pararosolic Acid, UNII-85N4AK3JAU, MFCD00001624, NSC 7805, 4-[bis(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one, 85N4AK3JAU, 2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-, CHEBI:34544, NSC7805, C19H14O3, 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one, CI-43800, 4-[Bis(4-hydroxyphenyl)methylene]-2,5-cyclohexadienone, 2,5-Cyclohexadien-1-one, 4-(bis(4-hydroxyphenyl)methylene)-, SMR001224399, ROSOLICACID, Corallin yellow, p-rosolic acin, EINECS 210-041-8, Spectrum_000988, AI3-18245, Spectrum2_000762, Spectrum3_000609, Spectrum4_000904, Spectrum5_001864, AC1L1JM0, AC1Q69YI, Corallin yellow (Salt/Mix), p-Rosolic acid, 85.0%, BSPBio_002118, CORALLIN (FREE ACID), KBioGR_001368, KBioSS_001468, MLS001359834, MLS002695900, BIDD:ER0176, DivK1c_000400, SCHEMBL590856, SPECTRUM1500762, SPBio_000804, CHEMBL210868, DTXSID2022387, HMS501D22, KBio1_000400, KBio2_001468, KBio2_004036, KBio2_006604, KBio3_001618, FYEHYMARPSSOBO-UHFFFAOYSA-N, NINDS_000400, 4-[Bis(4-hydroxyphenyl)methylene]-2,5-cyclohexadien-1-one, HMS1923K11, HMS3058N04, p-Rosolic acid, JIS special grade, KS-00000X6Y, NSC-7805, ZINC3874879, p-Rosolic acid (C.I. 43800), p-Rosolic acid, Dye content 85 %, BDBM50427512, CCG-39006, SBB058277, STL453788, AKOS015903417, MCULE-1450942647, 2, 4-[bis(p-hydroxyphenyl)methylene]-, IDI1_000400, SMP1_000134, 2, 4-[bis(4-hydroxyphenyl)methylene]-, NCGC00095266-01, NCGC00095266-02, NCGC00095266-03, AJ-46406, AN-21594, NCI60_041721, ST080685, Aurin (p-Rosolic acid) (C.I. 43800), TR-031574, A0598, ST24043040, A-8703, C14213, BRD-K24453427-001-02-9, BRD-K24453427-001-04-5, I14-19309, 4-(Bis(p-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 4-(bis(p-hydroxyphenyl)methylene)-, 4-[Bis(4-hydroxyphenyl)methylene]-2,5-cyclohexadien-1-one #, 2,5-Cyclohexadien-1-one, 4-(bis(p-hydroxyphenyl)methylene)- (8CI), Rosolic acid 25g, Rosolic acid (Aurin), CID5100, AR-1I2706, C19-H14-O3, p-Rosolic acid, indicator - 25G 25g, C017037, P-Rosolic Acid Indicator (Aurine) for microscopy 25gm, 4(bis(p-hydroxyphenyl)methylene)-2,5-cyclohexadien-1-one, 4-[bis(p-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 4-[bis(p-hydroxyphenyl)methylene]-, 62080-80-2,

Complexity	457
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.094g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	290.318g/mol
Monoisotopic Mass	290.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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