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132-49-0

132-49-0 | Benzoic acid, 2-(acetyloxy)-, magnesium salt (2:1)

CAS No: 132-49-0 Catalog No: AG00101M MDL No:

Product Description

Catalog Number:
AG00101M
Chemical Name:
Benzoic acid, 2-(acetyloxy)-, magnesium salt (2:1)
CAS Number:
132-49-0
Molecular Formula:
C18H14MgO8
Molecular Weight:
382.6040
IUPAC Name:
magnesium;2-acetyloxybenzoate
InChI:
InChI=1S/2C9H8O4.Mg/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2
InChI Key:
RBLKLJDYAHZCFW-UHFFFAOYSA-L
SMILES:
CC(=O)Oc1ccccc1C(=O)[O-].CC(=O)Oc1ccccc1C(=O)[O-].[Mg+2]
EC Number:
205-062-4
UNII:
4995924SMK

Properties

Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.054g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.607g/mol
Monoisotopic Mass:
382.054g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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