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calcium,2-carboxy-6-(2-phenylacetyl)phenolate

calcium,2-carboxy-6-(2-phenylacetyl)phenolate structure

CAS No:
70145-59-4
Formula:
C30H22CaO8
Chemical Name:
calcium,2-carboxy-6-(2-phenylacetyl)phenolate
Synonyms:
calcium 2-hydroxy-3-(2-phenylacetyl)benzoate; Salicylic acid,3-phenylacetyl-,calcium(II) salt (2:1); 3-Phenylacetylsalicylic acid,calcium salt;

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calcium,2-carboxy-6-(2-phenylacetyl)phenolate Basic Attributes

Molecular Weight：

550.56900

Exact Mass：

550.0940585

DSSTox ID：

DTXSID10220419

Characteristics

PSA：

154.86000

XLogP3：

4.13510

Boiling Point：

447ºC

Flash Point：

238.3ºC

Computed Properties

Molecular Weight:550.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:550.0940585
Monoisotopic Mass:550.0940585
Topological Polar Surface Area:155
Heavy Atom Count:39
Complexity:333
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of calcium,2-carboxy-6-(2-phenylacetyl)phenolate

Basic Attributes
Characteristics
Computed Properties

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