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3-acetyl-8-allyl-2H-chromen-2-one

3-acetyl-8-allyl-2H-chromen-2-one structure

CAS No:
6301-16-2
Formula:
C14H12O3
Chemical Name:
3-acetyl-8-allyl-2H-chromen-2-one
Synonyms:
3-Acetyl-8-allyl-2H-chromen-2-one;Coumarin, 3-acetyl-8-allyl-;3-acetyl-8-prop-2-enylchromen-2-one;NSC44169;NEWANTITUMOR;CTK5B7042;DTXSID40286200;ZINC187644;ALBB-006164;NSC-44169

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3-acetyl-8-allyl-2H-chromen-2-one Basic Attributes

Molecular Weight：

228.25

Exact Mass：

228.07900

NSC Number：

44169

DSSTox ID：

DTXSID40286200

HScode：

2932209090

Characteristics

PSA：

43.4

XLogP3：

2.72410

Density：

1.196g/cm3

Boiling Point：

428.9ºC at 760 mmHg

Flash Point：

193.8ºC

Refractive Index：

1.573

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:228.24
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:228.078644241
Monoisotopic Mass:228.078644241
Topological Polar Surface Area:43.4
Heavy Atom Count:17
Complexity:381
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-acetyl-8-allyl-2H-chromen-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-acetyl-8-allyl-2H-chromen-2-one

SDS

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