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71648-32-3

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Basic Information
CAS No.: 71648-32-3
Name: calcium bis(3-phenylpropionate)
Molecular Structure:
Molecular Structure of 71648-32-3 (calcium bis(3-phenylpropionate))
Formula: C18H18CaO4
Molecular Weight: 338.417
Synonyms: Benzenepropanoicacid, calcium salt (9CI);
EINECS: 275-761-7
PSA: 80.26000
LogP: 0.73820
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Specification

The Benzenepropanoic acid,calcium salt is an organic compound with the formula C18H18CaO4. The IUPAC name of this chemical is Calcium 3-phenylpropanoate. With the CAS registry number 71648-32-3, it is also named as Bis(benzenepropanoic acid)calcium salt. Besides, its molecular weight is 338.41.

The physical properties of Benzenepropanoic acid,calcium salt are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 80.26 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)CCc1ccccc1.[O-]C(=O)CCc1ccccc1
(2)InChI: InChI=1/2C9H10O2.Ca/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-5H,6-7H2,(H,10,11);/q;;+2/p-2
(3)InChIKey: VTSKURVDQVPKIL-NUQVWONBAL
(4)Std. InChI: InChI=1S/2C9H10O2.Ca/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-5H,6-7H2,(H,10,11);/q;;+2/p-2
(5)Std. InChIKey: VTSKURVDQVPKIL-UHFFFAOYSA-L