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1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone

1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone structure

CAS No:
57543-55-2
Formula:
C12H12O3
Chemical Name:
1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone
Synonyms:
Ethanone,1-(7-methoxy-2H-1-benzopyran-3-yl)-;1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone;1-(7-Methoxy-2H-chromen-3-yl)ethan-1-one;1-(7-Methoxy-2H-chromen-3-yl)ethanone

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1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone Basic Attributes

Molecular Weight：

204.225

Exact Mass：

204.22

DSSTox ID：

DTXSID00206166

Characteristics

PSA：

35.5

XLogP3：

1.6

Density：

1.1554 (rough estimate)

Toxicity：

Peritoneal-mouse LD50: 1000 mg/kg

Flammability characteristics：

Flammable; decomposes by heating to release irritating fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

moderately toxic

Computed Properties

Molecular Weight:204.22
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:204.078644241
Monoisotopic Mass:204.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:15
Complexity:283
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone

SDS

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