AG00395Z

40546-94-9 | 6-Methyl-4-phenyl-2-chromanone

AG00395Z

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CAS Number	40546-94-9
Catalog Number	AG00395Z(AGN-PC-0JY797)
Chemical Name	6-Methyl-4-phenyl-2-chromanone
EC Number	609-846-0
IUPAC Name	6-methyl-4-phenyl-3,4-dihydrochromen-2-one
InChI	InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
InChI Key	SUHIZPDCJOQZLN-UHFFFAOYSA-N
MDL Number	MFCD03695019
Molecular Formula	C16H14O2
Molecular Weight	238.2812
SMILES	CC=1C=C2C(CC(OC2=CC1)=O)C1=CC=CC=C1
Synonyms	6-methyl-4-phenylchroman-2-one, 40546-94-9, 6-Methyl-4-phenyl-2-chromanone, 6-Methyl-4-phenyl-chroman-2-one, 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one, 6-Methyl-4-phenyl-3,4-dihydrocoumarin, 6-methyl-4-phenyl-3,4-dihydrochromen-2-one, rac-6-Methyl-4-phenylchroman-2-one, 3,4-Dihydro-6-Methyl-4-Phenyl-2H-Benzopyran-2-One, 3,4-Dihydro-6-methyl-4-phenylcoumarin, AK-26753, 6-methyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 3,4-dihydro-6-methyl-4-phenyl-, 51737-00-9, 6-methyl-4-phenyl-3,4-dihydro-1-benzopyran-2-one, Tolterodine Lactone Impurity, (4r)-6-methyl-4-phenylchroman-2-one, PubChem9711, AC1MXK0K, ACMC-1AS73, MLS000770098, SCHEMBL820663, 6-methyl-4-phenyl-chroman-one, CHEMBL1577712, CTK1G8322, SUHIZPDCJOQZLN-UHFFFAOYSA-N, HMS2795N08, ACT04360, ANW-29440, CM-746, MFCD03695019, STK604917, AKOS005540927, AB15711, AC-1140, DS-0518, MCULE-6117423714, VZ30818, 6-methyl-4 phenyl-3,4-dihydrocoumarin, ACM40546949, KS-00000I19, 6-methyl-4-phenyl-3,4-dihydro coumarin, ACM349547188, BC205252, BR-26753, CC-22881, SC-04323, SMR000434830, SY036927, AB0006422, AX8016310, DB-001323, ST2412447, TL8006328, TR-016193, FT-0639650, M2093, V0897, MFCD03695019 (97%), S-5279, 546M949, 6-methyl-4-phenyl-3,4-dihydro-2H-chromen-2-one, C-14210, I01-0853, 4-Phenyl-6-methyl-3,4-dihydro-2H-1-benzopyran-2-one, -6-Methyl-4-phenylchroman-2-one, (4s)-6-methyl-4-phenylchroman-2-one, ACN-S005385, C16H14O2, ZINC00522145, CID3791643, CS-T-34918, 349547-18-8,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.099g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.286g/mol
Monoisotopic Mass	238.099g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number