AG003NIQ

49660-56-2 | 8-Methyl-3,4-dihydro-2h-1-benzopyran-4-one

AG003NIQ

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CAS Number	49660-56-2
Catalog Number	AG003NIQ(AGN-PC-0NGV93)
Chemical Name	8-Methyl-3,4-dihydro-2h-1-benzopyran-4-one
IUPAC Name	8-methyl-2,3-dihydrochromen-4-one
InChI	InChI=1S/C10H10O2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-4H,5-6H2,1H3
InChI Key	YRHXFIRIHICKTC-UHFFFAOYSA-N
MDL Number	MFCD09054820
Molecular Formula	C10H10O2
Molecular Weight	162.1852
SMILES	CC1=C2OCCC(=O)C2=CC=C1
Synonyms	8-Methyl-4-chromanone, 49660-56-2, 8-methylchroman-4-one, 8-methyl-3,4-dihydro-2H-1-benzopyran-4-one, 8-methyl-2,3-dihydrochromen-4-one, 2,3-Dihydro-8-methyl-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-8-methyl-, 8-METHYLCHROMANONE, AC1Q2GQO, AMOT0756, SCHEMBL19744350, CTK7H4286, KS-00000DEH, DTXSID60457172, 6729AB, ANW-71160, MFCD09054820, STL301649, ZINC34974437, AKOS005363323, ACN-039670, CM-1783, MCULE-3239542040, TRA0007665, 8-methyl-2,3-dihydro-4H-chromen-4-one, AJ-90539, AS-31230, CJ-18615, SY023822, TC-159905, EN300-53509, Z-3459, MFCD09054820 (97+%), 8-Methyl-2,3-dihydro-4H-chromen-4-one, AldrichCPR, C10H10O2, CID11159489,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.188g/mol
Monoisotopic Mass	162.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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