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3-pentyl-2H-oxadiazol-3-ium-5-one

3-pentyl-2H-oxadiazol-3-ium-5-one structure

CAS No:
6939-27-1
Formula:
C7H13N2O2+
Chemical Name:
3-pentyl-2H-oxadiazol-3-ium-5-one
Synonyms:
6939-27-1;NSC56798;3-pentyl-2H-oxadiazol-3-ium-5-one;DTXSID10328828;ZINC5973375;NSC-56798

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3-pentyl-2H-oxadiazol-3-ium-5-one Basic Attributes

Molecular Weight：

157.19 g/mol

Exact Mass：

157.097702662 g/mol

NSC Number：

56798

DSSTox ID：

DTXSID10328828

Characteristics

PSA：

41.3 Å²

Computed Properties

Molecular Weight:157.19
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:157.097702662
Monoisotopic Mass:157.097702662
Topological Polar Surface Area:41.3
Heavy Atom Count:11
Formal Charge:1
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-pentyl-2H-oxadiazol-3-ium-5-one

Basic Attributes
Characteristics
Computed Properties

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