1,4-Naphthalenedione,2-[3-[4-(acetyloxy)phenyl]propyl]-3-hydroxy-

Modify Date: 2025-10-02 15:35:11

1,4-Naphthalenedione,2-[3-[4-(acetyloxy)phenyl]propyl]-3-hydroxy- structure	Common Name	1,4-Naphthalenedione,2-[3-[4-(acetyloxy)phenyl]propyl]-3-hydroxy-
	CAS Number	18093-50-0	Molecular Weight	350.36500
	Density	1.307g/cm3	Boiling Point	543ºC at 760 mmHg
	Molecular Formula	C₂₁H₁₈O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	193.3ºC

Name	[4-[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate
Synonym	More Synonyms

Density	1.307g/cm3
Boiling Point	543ºC at 760 mmHg
Molecular Formula	C₂₁H₁₈O₅
Molecular Weight	350.36500
Flash Point	193.3ºC
Exact Mass	350.11500
PSA	80.67000
LogP	3.82590
Vapour Pressure	1.27E-12mmHg at 25°C
Index of Refraction	1.621
InChIKey	XOTAVFQAFUHENE-UHFFFAOYSA-N
SMILES	CC(=O)Oc1ccc(CCCC2=C(O)c3ccccc3C(=O)C2=O)cc1

2-Hydroxy-1,4-n...

CAS#:83-72-7

4-(4-acetoxyphe...

CAS#:18093-74-8

1,4-Naphthalene...

CAS#:18093-50-0

Literature: Bullock Journal of medicinal chemistry, 1968 , vol. 11, # 3 p. 419 - 424

Precursor 1
CAS#:83-72-7 2-Hydroxy-1,4-n...
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3-[3-(p-Acetoxyphenyl)-propyl]-2-hydroxy-1,4-naphthochinon

4-[3-(1-hydroxy-3,4-dioxo-3,4-dihydronaphthalen-2-yl)propyl]phenyl acetate

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