200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 305808-15-5
305808-15-5 | Pentanoic acid, 3-methyl-2-oxo-, calcium salt, hydrate (2:1:1)
CAS No: 305808-15-5 Catalog No: AG0030KP MDL No:
Product Description
Catalog Number:
AG0030KP
Chemical Name:
Pentanoic acid, 3-methyl-2-oxo-, calcium salt, hydrate (2:1:1)
CAS Number:
305808-15-5
Molecular Formula:
C12H20CaO7
Molecular Weight:
316.3610
IUPAC Name:
calcium;3-methyl-2-oxopentanoate;dihydrate
InChI:
InChI=1S/2C6H10O3.Ca.2H2O/c2*1-3-4(2)5(7)6(8)9;;;/h2*4H,3H2,1-2H3,(H,8,9);;2*1H2/q;;+2;;/p-2
InChI Key:
QZPKSONRSMXBTM-UHFFFAOYSA-L
SMILES:
CCC(C(=O)C(=O)[O-])C.CCC(C(=O)C(=O)[O-])C.O.[Ca+2]
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.378g/mol
Monoisotopic Mass:
334.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.