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3-nitrobutan-2-olate

3-nitrobutan-2-olate structure

CAS No:
85060-01-1
Formula:
C4H8NO3-
Chemical Name:
3-nitrobutan-2-olate
Synonyms:
3-Nitro-2-butanol nitronate;85060-01-1;CCRIS 5050;3-Nitro-2-butanol anion;3-nitrobutan-2-olate;2-Butanol, 3-nitro-, ion(1-);DTXSID601005429

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3-nitrobutan-2-olate Basic Attributes

Molecular Weight：

118.11 g/mol

Exact Mass：

118.050418117 g/mol

Characteristics

PSA：

68.9 Å²

Computed Properties

Molecular Weight:118.11
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:118.050418117
Monoisotopic Mass:118.050418117
Topological Polar Surface Area:68.9
Heavy Atom Count:8
Formal Charge:-1
Complexity:87.8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-nitrobutan-2-olate

Basic Attributes
Characteristics
Computed Properties

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