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[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-ACETICACID

[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-ACETICACID structure

CAS No:
842967-58-2
Formula:
C9H11NO4
Chemical Name:
[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-ACETICACID
Synonyms:
TIMTEC-BB SBB010959;[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-ACETIC ACID;Glycine, N-[(2,5-dimethyl-3-furanyl)carbonyl]-;2-[(2,5-dimethylfuran-3-yl)formamido]acetic Acid

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[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-ACETICACID Basic Attributes

Molecular Weight：

197.19

Exact Mass：

197.06880783

HScode：

2932190090

Characteristics

PSA：

79.54000

XLogP3：

1.10170

Density：

1.261±0.06 g/cm3

Boiling Point：

359.1±42.0 °C(Predicted)

PKA：

3.56±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

Xi,Xn

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:197.19
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.06880783
Monoisotopic Mass:197.06880783
Topological Polar Surface Area:79.5
Heavy Atom Count:14
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-ACETICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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