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15571-51-4 | 2-Propanol, calcium salt (9CI)
CAS No: 15571-51-4 Catalog No: AG001O4U MDL No:
Product Description
Catalog Number:
AG001O4U
Chemical Name:
2-Propanol, calcium salt (9CI)
CAS Number:
15571-51-4
Molecular Formula:
C3H8CaO
Molecular Weight:
100.1730
IUPAC Name:
calcium;propan-2-olate
InChI:
InChI=1S/2C3H7O.Ca/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChI Key:
MMLSWLZTJDJYJH-UHFFFAOYSA-N
SMILES:
CC(O)C.[Ca]
EC Number:
239-621-9
Properties
Complexity:
10.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.062g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.254g/mol
Monoisotopic Mass:
158.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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