200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 10196-68-6
10196-68-6 | Benzoic acid, 4-(1,1-dimethylethyl)-, barium salt (2:1)
CAS No: 10196-68-6 Catalog No: AG00063C MDL No:
Product Description
Catalog Number:
AG00063C
Chemical Name:
Benzoic acid, 4-(1,1-dimethylethyl)-, barium salt (2:1)
CAS Number:
10196-68-6
Molecular Formula:
C22H26BaO4
Molecular Weight:
491.7664
IUPAC Name:
barium(2+);4-tert-butylbenzoate
InChI:
InChI=1S/2C11H14O2.Ba/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2
InChI Key:
TVGPWOZHNCQATG-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1ccc(cc1)C(C)(C)C.[O-]C(=O)c1ccc(cc1)C(C)(C)C.[Ba+2]
EC Number:
233-490-1
UNII:
4J5PON3RVH
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.773g/mol
Monoisotopic Mass:
492.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.