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1,3-Propanediol, 2-(2-iodoethyl)-, 1,3-diacetate

1,3-Propanediol, 2-(2-iodoethyl)-, 1,3-diacetate structure

CAS No:
127047-77-2
Formula:
C9H15IO4
Chemical Name:
1,3-Propanediol, 2-(2-iodoethyl)-, 1,3-diacetate
Synonyms:
1,3-Propanediol,2-(2-iodoethyl)-,1,3-diacetate;1,3-Propanediol,2-(2-iodoethyl)-,diacetate;2-(Acetoxymethyl)-4-iodobutyl acetate;2-Acetoxymethyl-4-iodobutyl 1-acetate;2-(2-Iodoethyl)propane-1,3-diyl diacetate

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1,3-Propanediol, 2-(2-iodoethyl)-, 1,3-diacetate Basic Attributes

Molecular Weight：

314.11700

Exact Mass：

314.12

EC Number：

411-780-0

UNII：

UGI04T2ZSI

DSSTox ID：

DTXSID70155394

Characteristics

PSA：

52.60000

XLogP3：

1.55390

Density：

1.545g/cm3

Boiling Point：

329.1ºC

Flash Point：

152.8ºC

Refractive Index：

1.504

Vapor Pressure：

0.000182mmHg at 25°C

Safety Information

Marks：

Xn; N

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501

Computed Properties

Molecular Weight:314.12
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:314.00151
Monoisotopic Mass:314.00151
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Propanediol, 2-(2-iodoethyl)-, 1,3-diacetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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