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Benzoic acid, 3,4,5-trimethoxy-, 1,1′-anhydride

Benzoic acid, 3,4,5-trimethoxy-, 1,1′-anhydride structure

CAS No:
1719-88-6
Formula:
C20H22O9
Chemical Name:
Benzoic acid, 3,4,5-trimethoxy-, 1,1′-anhydride
Synonyms:
Benzoic acid,3,4,5-trimethoxy-,1,1′-anhydride;Benzoic acid,3,4,5-trimethoxy-,anhydride;3,4,5-Trimethoxybenzoic anhydride;NSC 40557;(3,4,5-Trimethoxybenzoyl) 3,4,5-trimethoxybenzoate;29970-22-7;55692-45-0

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Benzoic acid, 3,4,5-trimethoxy-, 1,1′-anhydride Basic Attributes

Molecular Weight：

406.38300

Exact Mass：

406.38

EC Number：

217-010-8

UNII：

QFG37BUS5X

NSC Number：

40557

DSSTox ID：

DTXSID40169185

HScode：

2918990090

Characteristics

PSA：

98.75000

XLogP3：

2.73540

Density：

1.228g/cm3

Melting Point：

156 °C

Boiling Point：

573.5ºC

Flash Point：

249.9ºC

Refractive Index：

1.535

Vapor Pressure：

3.69E-13mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

GHS Classification：

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

Computed Properties

Molecular Weight:406.4
XLogP3:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:406.12638228
Monoisotopic Mass:406.12638228
Topological Polar Surface Area:98.8
Heavy Atom Count:29
Complexity:466
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 3,4,5-trimethoxy-, 1,1′-anhydride

Basic Attributes
Characteristics
Safety Information
Computed Properties
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