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3-(PHENOXYMETHYL)BENZOICACID

3-(PHENOXYMETHYL)BENZOICACID structure

CAS No:
31719-75-2
Formula:
C14H12O3
Chemical Name:
3-(PHENOXYMETHYL)BENZOICACID
Synonyms:
3-(PHENOXYMETHYL)BENZOIC ACID;Benzoic acid, 3-(phenoxymethyl)-

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3-(PHENOXYMETHYL)BENZOICACID Basic Attributes

Molecular Weight：

228.24

Exact Mass：

228.078644241

DSSTox ID：

DTXSID90395634

Characteristics

Density：

1.222±0.06 g/cm3

Melting Point：

118 °C

Boiling Point：

409.2±28.0 °C(Predicted)

PKA：

4.14±0.10

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:228.24
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:228.078644241
Monoisotopic Mass:228.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:17
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(PHENOXYMETHYL)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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