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2-(4-Formylphenyl)aceticacid

2-(4-Formylphenyl)aceticacid structure

CAS No:
34841-47-9
Formula:
C9H8O3
Chemical Name:
2-(4-Formylphenyl)aceticacid
Synonyms:
2-(4-Formylphenyl)acetic acid;4-Formylbenzeneacetic acid;Benzeneacetic acid, 4-forMyl-;4-carboxymethyl benzaldehyde
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-(4-Formylphenyl)aceticacid Basic Attributes

Molecular Weight：

164.16

Exact Mass：

164.047344113

DSSTox ID：

DTXSID40462921

HScode：

2918300090

Characteristics

PSA：

54.37000

XLogP3：

1.12620

Density：

1.277±0.06 g/cm3

Melting Point：

131 °C

Boiling Point：

349.2±17.0 °C(Predicted)

PKA：

4.06±0.10

Computed Properties

Molecular Weight:164.16
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:164.047344113
Monoisotopic Mass:164.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-Formylphenyl)aceticacid

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