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6-Methoxy-1-indanone

6-Methoxy-1-indanone structure

CAS No:
13623-25-1
Formula:
C10H10O2
Chemical Name:
6-Methoxy-1-indanone
Synonyms:
1H-Inden-1-one,2,3-dihydro-6-methoxy-;1-Indanone,6-methoxy-;2,3-Dihydro-6-methoxy-1H-inden-1-one;6-Methoxy-1-indanone;6-Methoxyindane-1-one;NSC 338231;6-Methoxy-2,3-dihydro-1H-inden-1-one;2,3-Dihydro-6-methoxyinden-1-one
Categories:
Pharmaceutical Intermediates > Sleep Disorder Agents

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6-Methoxy-1-indanone Basic Attributes

Molecular Weight：

162.19

Exact Mass：

162.19

BRN：

1238602

EC Number：

-0

NSC Number：

338231

DSSTox ID：

DTXSID60318971

HScode：

29145090

Characteristics

PSA：

26.3

XLogP3：

1.6

Appearance：

White to yellow Fine Crystalline Powder

Density：

1.2±0.1 g/cm3

Melting Point：

109 °C

Boiling Point：

228.88°C (rough estimate)

Flash Point：

137.4±17.8 °C

Refractive Index：

1.564

Storage Conditions：

Refrigerator

Vapor Pressure：

0.00191mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

22-24/25-36/37-36-26

Marks：

Xn,Xi

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Methoxy-1-indanone Use and Manufacturing

Indanone derivative as α1-adrenoceptor antagonist.

Computed Properties

Molecular Weight:162.18
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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