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591-64-0 | CALCIUM LEVULINATE
CAS No: 591-64-0 Catalog No: AG003OO5 MDL No:MFCD00211352
Product Description
Catalog Number:
AG003OO5
Chemical Name:
CALCIUM LEVULINATE
CAS Number:
591-64-0
Molecular Formula:
C10H14CaO6
Molecular Weight:
270.2926
MDL Number:
MFCD00211352
IUPAC Name:
calcium;4-oxopentanoate
InChI:
InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2
InChI Key:
APKDPOQXVKRLEP-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CCC(=O)C.[O-]C(=O)CCC(=O)C.[Ca+2]
EC Number:
209-725-9
UNII:
LLQ966USIL
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.294g/mol
Monoisotopic Mass:
270.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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