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4-Acetoxyindole

4-Acetoxyindole structure

CAS No:
5585-96-6
Formula:
C10H9NO2
Chemical Name:
4-Acetoxyindole
Synonyms:
ACETOXYINDOLE;4-ACETOXYINDOLE;4-INDOLYL ACETATE;4-INDOXYL ACETATE;4-Acetoxy-1H-indole;4-INDOLYL ACETATE 99%;1H-indol-4-yl acetate;1H-Indol-4-ol,4-acetate;Acetic acid 1H-indol-4-yl ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Acetoxyindole Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.06300

EC Number：

1312995-182-4

DSSTox ID：

DTXSID70342707

HScode：

2933990090

Characteristics

PSA：

42.1

XLogP3：

1.8

Appearance：

Off-white powder

Density：

1.255 g/cm3

Melting Point：

100-102°C

Boiling Point：

339.1°C at 760 mmHg

Flash Point：

158.9ºC

Refractive Index：

1.633

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Marks：

Hazard note：

Irritant

4-Acetoxyindole Use and Manufacturing

Reactant for preparation of:• ;Inhibitors of HIV-1 attachment1• ;Prostanoid EP3 receptor antagonist, as a novel antiplatelet agent2• ;Indolyl-nitroalkanes via N-bromosuccinimide catalyzed synthesis3• ;Psilocybin as a medicinal agent4

Computed Properties

Molecular Weight:175.18
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:42.1
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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