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2-[(2-OXOPROPYL)THIO]BENZOICACID

2-[(2-OXOPROPYL)THIO]BENZOICACID structure

CAS No:
336186-19-7
Formula:
C10H10O3S
Chemical Name:
2-[(2-OXOPROPYL)THIO]BENZOICACID
Synonyms:
2-[(2-OXOPROPYL)THIO]BENZOIC ACID;Benzoic acid, 2-[(2-oxopropyl)thio]-;2-[(2-Oxopropyl)sulfanyl]benzoic acid

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2-[(2-OXOPROPYL)THIO]BENZOICACID Basic Attributes

Molecular Weight：

210.25

Exact Mass：

210.03506535 g/mol

DSSTox ID：

DTXSID60368815

Characteristics

PSA：

79.7 Å²

Density：

1.30±0.1 g/cm3

Melting Point：

153-154 °C(Solv: ethanol (64-17-5))

Boiling Point：

354.2±27.0 °C(Predicted)

PKA：

3.45±0.36

Computed Properties

Molecular Weight:210.25
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:210.03506535
Monoisotopic Mass:210.03506535
Topological Polar Surface Area:79.7
Heavy Atom Count:14
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(2-OXOPROPYL)THIO]BENZOICACID

Basic Attributes
Characteristics
Computed Properties

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