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3-ISOPROPOXYBENZOICACID

3-ISOPROPOXYBENZOICACID structure

CAS No:
60772-67-0
Formula:
C10H12O3
Chemical Name:
3-ISOPROPOXYBENZOICACID
Synonyms:
AKOS BB-8626;AKOS BB/0141;3-ISOPROPOXYBENZOIC ACID;CHEMBRDG-BB 4402367;BUTTPARK 154\04-18;ASISCHEM T31123;TIMTEC-BB SBB001905;ARONIS013065

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3-ISOPROPOXYBENZOICACID Basic Attributes

Molecular Weight：

180.2

Exact Mass：

180.078644241 g/mol

DSSTox ID：

DTXSID10343016

Characteristics

PSA：

46.5 Å²

Density：

1.130±0.06 g/cm3

Melting Point：

96-97°C

Boiling Point：

310.4±15.0 °C(Predicted)

PKA：

pK1:4.15 (20°C)

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:180.20
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-ISOPROPOXYBENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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