Home Other Building Blocks Benzoic acid, calcium salt (2:1)

Benzoic acid, calcium salt (2:1)

CAS No.:
2090-05-3
Catalog Number:
AG002K0V
Molecular Formula:
C14H10CaO4
Molecular Weight:
282.3048
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Product Description
Catalog Number:
AG002K0V
Chemical Name:
Benzoic acid, calcium salt (2:1)
CAS Number:
2090-05-3
Molecular Formula:
C14H10CaO4
Molecular Weight:
282.3048
IUPAC Name:
calcium;dibenzoate
InChI:
InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
InChI Key:
NSQPPSOSXWOZNH-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.[Ca+2]
EC Number:
218-235-4
UNII:
3QDE968MKD
Properties
Complexity:
98  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.02g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.308g/mol
Monoisotopic Mass:
282.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties