AG00GXGR

866823-73-6 | Biphenylindanone A

AG00GXGR

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CAS Number	866823-73-6
Catalog Number	AG00GXGR(AGN-PC-0V7VWH)
Chemical Name	Biphenylindanone A
IUPAC Name	4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid
InChI	InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
InChI Key	KMKBEESNZAPKMP-UHFFFAOYSA-N
MDL Number	MFCD19440914
Molecular Formula	C30H30O4
Molecular Weight	454.5568
SMILES	CC1=C(C)C2=C(CC(C3CCCC3)C2=O)C=C1OCC4=CC(C5=CC=C(C(O)=O)C=C5)=CC=C4
Synonyms	3'-(((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)methyl)biphenyl-4-carboxylic acid, BINA cpd, biphenyl-indanone A, Biphenylindanone A, 866823-73-6, BINA, Biphenyl-indanone A, CHEMBL593013, 3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylic acid, 3'-(((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)methyl)-[1,1'-biphenyl]-4-carboxylic acid, MRLSD 230, LS-193,571, GTPL3954, SCHEMBL2456715, DTXSID90432098, AN-017, BDBM50335255, AKOS015951069, RL05369, 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic Acid, NCGC00370788-02, 4CA-0876, AC-26845, SC-28786, AB1008466, LS 193571, LS-193571, Biphenyl-indanone A, >=98% (HPLC), powder, S-7822, J-510368, 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-indan-5-yl)oxymethyl]phenyl]benzoic acid, 3 inverted exclamation marka-[[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl]biphenyl-4-carboxylic acid, 3 inverted exclamation marka-[[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl]biphenyl-4-carboxylic acid; BINA; Biphenylindanone A, 3''-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)-biphenyl-4-carboxylic acid, 3''-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)biphenyl-4-carboxylic acid, 3'-(((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1h-inden-5-yl)oxy)methyl)biphenyl-4-carboxylic acid;mrlsd 230, 3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)biphenyl-4-carboxylic acid, 3'-[[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl]biphenyl-4-carboxylic acid, Biphenylindanone A {3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylic acid}, BINA cpd, D07MHL, 2-Fluoro-3-hydroxypyridine, cc-230, ACN-001832, CID9868580, C522461, [1,1'-Biphenyl]-4-carboxylic acid, 3'-[[(2-cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-, 3'-(((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)methyl)biphenyl-4-carboxylic acid,

Complexity	719
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	454.214g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	454.566g/mol
Monoisotopic Mass	454.214g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	7.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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