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3-benzylsydnone

3-benzylsydnone structure

CAS No:
16844-42-1
Formula:
C6H5CH2C2H2N2O
Chemical Name:
3-benzylsydnone
Synonyms:
Sydnone, 3-benzyl-;Benzyl sydnone;3-Benzylsydnone;Sydnone, 3-(phenylmethyl)-;NSC50486;3-benzyl-2H-oxadiazol-3-ium-5-one;SCHEMBL3973184;DTXSID40328750;ZINC1682005;NSC-50486

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3-benzylsydnone Basic Attributes

Molecular Weight：

177.183

Exact Mass：

177.06600

NSC Number：

50486

DSSTox ID：

DTXSID40328750

HScode：

2934999090

Characteristics

PSA：

41.3

XLogP3：

0.71600

Computed Properties

Molecular Weight:177.18
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:177.066402534
Monoisotopic Mass:177.066402534
Topological Polar Surface Area:41.3
Heavy Atom Count:13
Formal Charge:1
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-benzylsydnone

Basic Attributes
Characteristics
Computed Properties

3-benzylsydnone

SDS

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