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2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetate

2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetate structure

CAS No:
14388-13-7
Formula:
C7H10N2O4
Chemical Name:
2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetate
Synonyms:
Sydnone, 4-(carboxymethyl)-3-isopropyl-;14388-13-7;BRN 5408406;4-(Carboxymethyl)-3-isopropylsydnone;DTXSID70162568

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2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetate Basic Attributes

Molecular Weight：

186.17 g/mol

Exact Mass：

186.06405680 g/mol

DSSTox ID：

DTXSID70162568

Characteristics

PSA：

81.5 Å²

Computed Properties

Molecular Weight:186.17
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:186.06405680
Monoisotopic Mass:186.06405680
Topological Polar Surface Area:81.5
Heavy Atom Count:13
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetate

Basic Attributes
Characteristics
Computed Properties

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