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3,3-DIMETHYL-1-INDANONE

3,3-DIMETHYL-1-INDANONE structure

CAS No:
26465-81-6
Formula:
C11H12O
Chemical Name:
3,3-DIMETHYL-1-INDANONE
Synonyms:
AKOS BC-0396;3,3-DIMETHYL-1-INDANONE;3,3-dimethylindan-1-one;1H-Inden-1-one,2,3-dihydro-3,3-di-;1,1-Dimethyl-1H-indene-3(2H)-one;3,3-Dimethyl-2,3-dihydro-1H-indene-1-one;3,3-Dimethyl-2,3-dihydro-1H-inden-1-one;1H-Inden-1-one, 2,3-dihydro-3,3-diMethyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,3-DIMETHYL-1-INDANONE Basic Attributes

Molecular Weight：

160.21

Exact Mass：

160.088815002 g/mol

NSC Number：

200698

DSSTox ID：

DTXSID70307972

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

2.55060

Density：

1.03

Boiling Point：

122 °C / 16mmHg

Flash Point：

100.4ºC

Refractive Index：

1.5410-1.5450

Storage Conditions：

Refrigerator

Vapor Pressure：

0.0212mmHg at 25°C

Safety Information

hazard class code：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:160.21
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Exact Mass:160.088815002
Monoisotopic Mass:160.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,3-Dimethyl-2,3-dihydro-1H-inden-1-one

CAS No.: 26465-81-6

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