8-Methyl-4-chromanone - CAS 49660-56-2

Catalog:	BB026773
Product Name:	8-Methyl-4-chromanone
CAS:	49660-56-2
Synonyms:	8-methyl-3,4-dihydro-2H-1-benzopyran-4-one; 8-methyl-2,3-dihydrochromen-4-one

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Computed Properties

IUPAC Name:	8-methyl-2,3-dihydrochromen-4-one
Description:	8-Methyl-4-chromanone (CAS# 49660-56-2) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C10H10O2
Canonical SMILES:	CC1=CC=CC2=C1OCCC2=O
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
LogP:	1.96020

Publication Number	Title	Priority Date
CN-109293493-A	With the inhibition active novel benzhydryl class compound of mycobacterium tuberculosis	20181029
WO-2017222083-A1	Novel compounds	20160623
WO-2014146553-A1	Flavonoid derivatives and use thereof	20130318
AU-610189-B2	Hexa-cyclic compound	19870624
IE-61281-B1	Hexa-cyclic compound	19870624

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.068079557
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.068079557
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7