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Benzoic acid, 2-(hydroxy-d)-, methyl-d3 ester

Benzoic acid, 2-(hydroxy-d)-, methyl-d3 ester structure

CAS No:
302912-49-8
Formula:
C8H4D4O3
Chemical Name:
Benzoic acid, 2-(hydroxy-d)-, methyl-d3 ester
Synonyms:
Benzoic acid,2-(hydroxy-d)-,methyl-d3 ester

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Benzoic acid, 2-(hydroxy-d)-, methyl-d3 ester Basic Attributes

Molecular Weight：

156.173

Exact Mass：

156.072451097

DSSTox ID：

DTXSID90584182

Characteristics

Density：

1.205 g/mL at 25 °C(lit.)

Melting Point：

−8-−7 °C(lit.)

Boiling Point：

222 °C(lit.)

Refractive Index：

n20/D 1.535(lit.)

Safety Information

wgk germany：

hazard class code：

61-22-36/37/38-43-64

safety instructions：

53-26-36/37/39-45

Marks：

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P260, P261, P263, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:156.17
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:156.072451097
Monoisotopic Mass:156.072451097
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Complexity:144
Isotope Atom Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 2-(hydroxy-d)-, methyl-d3 ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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