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4-pentanoylbenzonitrile

4-pentanoylbenzonitrile structure

CAS No:
30611-20-2
Formula:
C12H13NO
Chemical Name:
4-pentanoylbenzonitrile
Synonyms:
4-pentanoylbenzonitrile;Benzonitrile, 4-(1-oxopentyl)-;30611-20-2;4-PENTANOYL-BENZONITRILE;Benzonitrile,4-(1-oxopentyl)-;4-Valerylbenzonitrile;SCHEMBL8466864;DTXSID60184678;ZINC5819915;MFCD09031788;AKOS006290851

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4-pentanoylbenzonitrile Basic Attributes

Molecular Weight：

187.24 g/mol

Exact Mass：

187.099714038 g/mol

DSSTox ID：

DTXSID60184678

Characteristics

PSA：

40.9 Å²

Computed Properties

Molecular Weight:187.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:187.099714038
Monoisotopic Mass:187.099714038
Topological Polar Surface Area:40.9
Heavy Atom Count:14
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-pentanoylbenzonitrile

Basic Attributes
Characteristics
Computed Properties

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