Home Other Building Blocks Benzoic acid, 4-ethynyl-, sodium salt (1:1)

Benzoic acid, 4-ethynyl-, sodium salt (1:1)

CAS No.:
144693-65-2
Catalog Number:
AG001K0Q
Molecular Formula:
C9H5NaO2
Molecular Weight:
168.1246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$121
- +
Product Description
Catalog Number:
AG001K0Q
Chemical Name:
Benzoic acid, 4-ethynyl-, sodium salt (1:1)
CAS Number:
144693-65-2
Molecular Formula:
C9H5NaO2
Molecular Weight:
168.1246
MDL Number:
MFCD03426026
IUPAC Name:
sodium;4-ethynylbenzoate
InChI:
InChI=1S/C9H6O2.Na/c1-2-7-3-5-8(6-4-7)9(10)11;/h1,3-6H,(H,10,11);/q;+1/p-1
InChI Key:
VXBLAFDQGACQAR-UHFFFAOYSA-M
SMILES:
C#Cc1ccc(cc1)C(=O)[O-].[Na+]
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.127g/mol
Monoisotopic Mass:
168.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties