Home Carboxys 1,3-Adamantanedicarboxylic acid

1,3-Adamantanedicarboxylic acid

CAS No.:
39269-10-8
Catalog Number:
AG003DGY
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$39
- +
5g
98%(HPLC)
In Stock USA
United States
$57
- +
25g
98%(HPLC)
In Stock USA
United States
$150
- +
100g
98%(HPLC)
In Stock USA
United States
$354
- +
Product Description
Catalog Number:
AG003DGY
Chemical Name:
1,3-Adamantanedicarboxylic acid
CAS Number:
39269-10-8
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00167790
IUPAC Name:
adamantane-1,3-dicarboxylic acid
InChI:
InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChI Key:
PAVQGHWQOQZQEH-UHFFFAOYSA-N
SMILES:
OC(=O)[C@]12C[C@@H]3C[C@H](C1)C[C@](C2)(C3)C(=O)O
EC Number:
254-395-1
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x--a 3D inorganic hybrid material. Dalton transactions (Cambridge, England : 2003) 20121021
Poly[(μ4-adamantane-1,3-dicarboxylato-κ5O1:O1':O3,O3':O3')(μ3-adamantane-1,3-dicarboxylato-κ5O1,O1':O3,O3':O3')dimagnesium]: a layered coordination polymer. Acta crystallographica. Section C, Crystal structure communications 20111101
catena-Poly[[[aqua-(1,10-phenanthro-line)manganese(II)]-μ-adamantane-1,3-dicarboxyl-ato] monohydrate]. Acta crystallographica. Section E, Structure reports online 20111101
Bis(μ-adamantane-1,3-dicarboxyl-ato-κO,O:O,O)bis-[aqua-(3-carboxy-adam-antane-1-carboxyl-ato-κO)(1,10-phen-an-throline-κN,N')erbium(III)] dihydrate. Acta crystallographica. Section E, Structure reports online 20110701
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
catena-Poly[thorium(IV)-tetrakis(μ(2)-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding. Acta crystallographica. Section C, Crystal structure communications 20101001
Syntheses and crystal structures of a series of coordination polymers constructed from C2-symmetric ligand 1,3-adamantanedicarboxylic acid. Chemistry, an Asian journal 20100705
New types of di-, tetra-, hexa- and octanuclear Ag(I) complexes containing 1,3-adamantanedicarboxylic acid. Dalton transactions (Cambridge, England : 2003) 20091214
catena-Poly[[diaquacobalt(II)]-bis(μ-3-carboxy-adamantane-1-carboxyl-ato-κO:O)]. Acta crystallographica. Section E, Structure reports online 20090401
Cocrystallization of adamantane-1,3-dicarboxylic acid and 4,4'-bipyridine. Acta crystallographica. Section C, Crystal structure communications 20080201
Capture of a single molecule in a nanocavity. Science (New York, N.Y.) 20010126
Properties