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135236-72-5 | Calcium Beta-Hydroxy-Beta-Methylbutyrate
CAS No: 135236-72-5 Catalog No: AG003ONL MDL No:MFCD01321171
Product Description
Catalog Number:
AG003ONL
Chemical Name:
Calcium Beta-Hydroxy-Beta-Methylbutyrate
CAS Number:
135236-72-5
Molecular Formula:
C10H20CaO7
Molecular Weight:
292.3396
MDL Number:
MFCD01321171
IUPAC Name:
calcium;3-hydroxy-3-methylbutanoate
InChI:
InChI=1S/2C5H10O3.Ca/c2*1-5(2,8)3-4(6)7;/h2*8H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChI Key:
WLJUMPWVUPNXMF-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CC(O)(C)C.[O-]C(=O)CC(O)(C)C.[Ca+2].O
UNII:
2X2EF40O4Q
Properties
Complexity:
90.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.326g/mol
Monoisotopic Mass:
274.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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