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26016-98-8 | Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-, calcium salt (1:1)
CAS No: 26016-98-8 Catalog No: AG002REJ MDL No:MFCD07809417
Product Description
Catalog Number:
AG002REJ
Chemical Name:
Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-, calcium salt (1:1)
CAS Number:
26016-98-8
Molecular Formula:
C3H5CaO4P
Molecular Weight:
176.1212
MDL Number:
MFCD07809417
IUPAC Name:
calcium;[(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane
InChI:
InChI=1S/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1
InChI Key:
YMZJBJPWTXJQMR-LJUKVTEVSA-L
SMILES:
C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2]
EC Number:
247-408-7
UNII:
76EIK6888N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
175.955g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.121g/mol
Monoisotopic Mass:
175.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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