AG00GU94

92831-11-3 | 2-(4-Isopropylpheny)-4H-chroMen-4-one

AG00GU94

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CAS Number	92831-11-3
Catalog Number	AG00GU94(AGN-PC-0WH9C3)
Chemical Name	2-(4-Isopropylpheny)-4H-chroMen-4-one
IUPAC Name	2-(4-propan-2-ylphenyl)chromen-4-one
InChI	InChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3
InChI Key	PYTOHIUBXSJKQH-UHFFFAOYSA-N
MDL Number	MFCD00829158
Molecular Formula	C18H16O2
Molecular Weight	264.3184
SMILES	O=C1C=C(C2=CC=C(C(C)C)C=C2)OC3=C1C=CC=C3
Synonyms	mn-64, 92831-11-3, MN 64, 2-(4-Isopropylpheny)-4H-chroMen-4-one, 4'-Isopropylflavone, CHEMBL2431867, 2-(4-propan-2-ylphenyl)chromen-4-one, 2-[4-(propan-2-yl)phenyl]-4H-chromen-4-one, Bio2B2, 4bs4, AC1MCXM7, Oprea1_520034, SCHEMBL2424789, AOB2323, EX-A919, ZINC135411, BCP16851, O-(2-Aminoethyl)polyethylene glycol, BDBM50441358, MFCD00829158, AKOS025142045, CS-5231, NCGC00387229-03, 2-(4-isopropylphenyl)-4H-chromen-4-one, AK339093, AS-16713, HY-19351, MN-64, >=98% (HPLC), FT-0700411, 2-(4-Isopropylphenyl)-4H-1-benzopyran-4-one, J-690394, A64, MN64, ZINC00135411, CID2802462, A15927, 2-[4-(1-Methylethyl)phenyl]-4H-1-benzopyran-4-one,

Complexity	388
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.115g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.324g/mol
Monoisotopic Mass	264.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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