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Home Carboxys Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxopropyl)-, ion(1-), calcium, calcium salt (2:1:1)

Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxopropyl)-, ion(1-), calcium, calcium salt (2:1:1)

CAS No.:
127277-53-6
Catalog Number:
AG000WW2
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG000WW2
Chemical Name:
Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxopropyl)-, ion(1-), calcium, calcium salt (2:1:1)
CAS Number:
127277-53-6
MDL Number:
MFCD01752177
IUPAC Name:
calcium;4-(1-oxidopropylidene)-3,5-dioxocyclohexane-1-carboxylate
InChI:
InChI=1S/C10H12O5.Ca/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h5,11H,2-4H2,1H3,(H,14,15);/q;+2/p-2
InChI Key:
NLKUPINTOLSSLD-UHFFFAOYSA-L
EC Number:
603-193-5
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.015g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.263g/mol
Monoisotopic Mass:
250.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Dioxygenases catalyze the O-demethylation steps of morphine biosynthesis in opium poppy. Nature chemical biology 20100401
Properties