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2-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile

2-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile structure

CAS No:
24966-31-2
Formula:
C10H7NO3
Chemical Name:
2-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile
Synonyms:
2-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile;24966-31-2;NSC127685;DTXSID80299036;NSC-127685

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2-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile Basic Attributes

Molecular Weight：

189.17 g/mol

Exact Mass：

189.042593085 g/mol

NSC Number：

127685

DSSTox ID：

DTXSID80299036

Characteristics

PSA：

59.3 Å²

Computed Properties

Molecular Weight:189.17
XLogP3:1.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.042593085
Monoisotopic Mass:189.042593085
Topological Polar Surface Area:59.3
Heavy Atom Count:14
Complexity:270
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: anisometropia; dinitrogen trioxide; methyl formate; butanal; lactose monohydrate; lead oxide

Guide of 2-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile

Basic Attributes
Characteristics
Computed Properties

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