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3-(1-HYDROXY-ETHYL)-BENZOICACID

3-(1-HYDROXY-ETHYL)-BENZOICACID structure

CAS No:
283608-37-7
Formula:
C9H10O3
Chemical Name:
3-(1-HYDROXY-ETHYL)-BENZOICACID
Synonyms:
BENZOIC ACID, 3-(1-HYDROXYETHYL)-;3-(1-HYDROXY-ETHYL)-BENZOIC ACID

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3-(1-HYDROXY-ETHYL)-BENZOICACID Basic Attributes

Molecular Weight：

166.17

Exact Mass：

166.062994177

DSSTox ID：

DTXSID40468645

HScode：

2918199090

Characteristics

PSA：

57.53000

XLogP3：

1.43810

Density：

1.249±0.06 g/cm3

Melting Point：

90-92 °C

Boiling Point：

340.2±25.0 °C(Predicted)

PKA：

4.12±0.10

Computed Properties

Molecular Weight:166.17
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:167
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1-HYDROXY-ETHYL)-BENZOICACID

Basic Attributes
Characteristics
Computed Properties

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