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4-methylpent-1-yn-3-one

4-methylpent-1-yn-3-one structure

CAS No:
13531-82-3
Formula:
C6H8O
Chemical Name:
4-methylpent-1-yn-3-one
Synonyms:
13531-82-3;Ethynyl isopropyl ketone;1-Pentyn-3-one, 4-methyl-;4-Methyl-1-pentyn-3-one;4-methylpent-1-yn-3-one;NSC96445;1-Pentyn-3-one,4-methyl-;4-Methyl-pent-1-yn-3-one;Pent-4-yn-3-one, 2-methyl-;DTXSID40159309;ZINC1621716;MFCD18711783;NSC 96445;NSC-96445;AKOS006344669

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4-methylpent-1-yn-3-one Basic Attributes

Molecular Weight：

96.13 g/mol

Exact Mass：

96.057514874 g/mol

NSC Number：

96445

DSSTox ID：

DTXSID40159309

Characteristics

PSA：

17.1 Å²

Computed Properties

Molecular Weight:96.13
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:96.057514874
Monoisotopic Mass:96.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: pyrophosphate formula; ambroxol ambroxol; chloromethane; difluoroethane; 2 pentanol; ammonium bromide

Guide of 4-methylpent-1-yn-3-one

Basic Attributes
Characteristics
Computed Properties

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