7-Hydroxy-2,2-dimethylchroman-4-one - CAS 17771-33-4

Catalog:	BB013324
Product Name:	7-Hydroxy-2,2-dimethylchroman-4-one
CAS:	17771-33-4
Synonyms:	7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 7-hydroxy-2,2-dimethyl-3H-chromen-4-one

Technical Data

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Computed Properties

IUPAC Name:	7-hydroxy-2,2-dimethyl-3H-chromen-4-one
Description:	7-Hydroxy-2,2-dimethylchroman-4-one (CAS# 17771-33-4) is a useful research chemical.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	CC1(CC(=O)C2=C(O1)C=C(C=C2)O)C
InChI:	InChI=1S/C11H12O3/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,12H,6H2,1-2H3
InChI Key:	PHEWNYMTGPOCOP-UHFFFAOYSA-N
Boiling Point:	354.3 °C at 760 mmHg
Density:	1.196 g/cm³
MDL:	MFCD00100268
LogP:	2.13600

Publication Number	Title	Priority Date
AU-2018289759-A1	Alpha, beta-unsaturated amide compound	20170623
CA-3068158-A1	.alpha.,.beta.-unsaturated amide compound	20170623
CN-110770211-A	Î± unsaturated amide compound	20170623
JP-WO2018235926-A1	Î±, Î² unsaturated amide compounds	20170623
KR-20200019979-A	Î±, Î² unsaturated amide compounds	20170623

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Carbonyl Compounds

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GHS Hazard Statement:	H303+H333 (100%): May be harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.078644241
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.078644241
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6