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4-cyclobutyl-benzoicacid

4-cyclobutyl-benzoicacid structure

CAS No:
3158-70-1
Formula:
C11H12O2
Chemical Name:
4-cyclobutyl-benzoicacid
Synonyms:
4-cyclobutyl-benzoic acid;Benzoic acid, 4-cyclobutyl-

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4-cyclobutyl-benzoicacid Basic Attributes

Molecular Weight：

176.21

Exact Mass：

176.083729621 g/mol

NSC Number：

126988

DSSTox ID：

DTXSID20298927

Characteristics

PSA：

37.3 Å²

Density：

1.193±0.06 g/cm3

Melting Point：

118-119 °C

Boiling Point：

320.7±21.0 °C(Predicted)

PKA：

4.34±0.10

Computed Properties

Molecular Weight:176.21
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:176.083729621
Monoisotopic Mass:176.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-cyclobutyl-benzoicacid

Basic Attributes
Characteristics
Computed Properties

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