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3-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOICACID

3-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOICACID structure

CAS No:
315692-86-5
Formula:
C13H13NO4
Chemical Name:
3-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOICACID
Synonyms:
3-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID;Benzoic acid, 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]-

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3-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOICACID Basic Attributes

Molecular Weight：

247.25

Exact Mass：

247.08445790 g/mol

HScode：

2934999090

Characteristics

PSA：

72.56000

XLogP3：

2.56860

Density：

1.266±0.06 g/cm3

Boiling Point：

457.8±40.0 °C(Predicted)

PKA：

4.00±0.10

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, 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:247.25
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:247.08445790
Monoisotopic Mass:247.08445790
Topological Polar Surface Area:72.6
Heavy Atom Count:18
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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