Calcium benzoate (2090-05-3) IR1
Product NameCalcium benzoate
CAS2090-05-3
Molecular FormulaC7H8CaO2
Molecular Weight164.22
InChIInChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
InChIKey NSQPPSOSXWOZNH-UHFFFAOYSA-L
SmilesC1(=CC=CC=C1)C(=O)O[Ca]OC(=O)C1=CC=CC=C1
KBr disc
