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3-METHYL-5-ISOXAZOLEACETICACID98

3-METHYL-5-ISOXAZOLEACETICACID98 structure

CAS No:
19668-85-0
Formula:
C6H7NO3
Chemical Name:
3-METHYL-5-ISOXAZOLEACETICACID98
Synonyms:
3-Methylisoxazole-5-acetic Acid;3-METHYL-5-ISOXAZOLEACETIC ACID 98;(3-Methylisoxazol-5-yl)acetic acid;5-(Carboxymethyl)-3-methylisoxazole;5-Isoxazoleacetic acid, 3-Methyl-;2-(3-methylisoxazol-5-yl)acetic acid;3-Methyl-5-isoxazoleacetic acid 98%;2-(3-methyl-1,2-oxazol-5-yl)acetic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-METHYL-5-ISOXAZOLEACETICACID98 Basic Attributes

Molecular Weight：

141.12

Exact Mass：

141.042593085

DSSTox ID：

DTXSID20400669

HScode：

2934999090

Characteristics

PSA：

63.33000

XLogP3：

0.61010

Density：

1.292±0.06 g/cm3

Melting Point：

101-104 °C (lit.)

Boiling Point：

306.7±27.0 °C(Predicted)

Flash Point：

139.3ºC

Refractive Index：

1.508

Vapor Pressure：

0.000331mmHg at 25°C

PKA：

3.70±0.10

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:141.12
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:141.042593085
Monoisotopic Mass:141.042593085
Topological Polar Surface Area:63.3
Heavy Atom Count:10
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-METHYL-5-ISOXAZOLEACETICACID98

Basic Attributes
Characteristics
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Computed Properties
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