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5793-85-1 | CALCIUM PHTHALATE HYDRATE
CAS No: 5793-85-1 Catalog No: AG003OOD MDL No:MFCD08276328
Product Description
Catalog Number:
AG003OOD
Chemical Name:
CALCIUM PHTHALATE HYDRATE
CAS Number:
5793-85-1
MDL Number:
MFCD08276328
IUPAC Name:
calcium;phthalate;hydrate
InChI:
InChI=1S/C8H6O4.Ca.H2O/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;1H2/q;+2;/p-2
InChI Key:
JVCQBGFGUZJNFZ-UHFFFAOYSA-L
EC Number:
227-332-0
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.209g/mol
Monoisotopic Mass:
221.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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