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7492-55-9 | Calcium (2E,4E);-hexa-2,4-dienoate
CAS No: 7492-55-9 Catalog No: AG005GFN MDL No:MFCD00043805
Product Description
Catalog Number:
AG005GFN
Chemical Name:
Calcium (2E,4E);-hexa-2,4-dienoate
CAS Number:
7492-55-9
Molecular Formula:
C12H14CaO4
Molecular Weight:
262.3152
MDL Number:
MFCD00043805
IUPAC Name:
calcium;(2E,4E)-hexa-2,4-dienoate
InChI:
InChI=1S/2C6H8O2.Ca/c2*1-2-3-4-5-6(7)8;/h2*2-5H,1H3,(H,7,8);/q;;+2/p-2/b2*3-2+,5-4+;
InChI Key:
MCFVRESNTICQSJ-RJNTXXOISA-L
SMILES:
C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].[Ca+2]
EC Number:
231-321-6
UNII:
2P47R6817F
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
262.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.318g/mol
Monoisotopic Mass:
262.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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