200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 881851-54-3
881851-54-3 | Benzoic acid, compd. with tributyl phosphate (1:2)
CAS No: 881851-54-3 Catalog No: AG004CDF MDL No:
Product Description
Catalog Number:
AG004CDF
Chemical Name:
Benzoic acid, compd. with tributyl phosphate (1:2)
CAS Number:
881851-54-3
Molecular Formula:
C31H60O10P2
Molecular Weight:
654.7496
IUPAC Name:
benzoic acid;tributyl phosphate
InChI:
InChI=1S/2C12H27O4P.C7H6O2/c2*1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;8-7(9)6-4-2-1-3-5-6/h2*4-12H2,1-3H3;1-5H,(H,8,9)
InChI Key:
OSXRRXXWKGXMMY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.CCCCOP(=O)(OCCCC)OCCCC.CCCCOP(=O)(OCCCC)OCCCC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
654.366g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
654.759g/mol
Monoisotopic Mass:
654.366g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.