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Structure

1,3,5,7-Adamantanetetracarboxylic Acid

CAS
100884-80-8
Catalog Number
ACM100884808-3
Category
Other Products
Molecular Weight
312.28
Molecular Formula
C14H16O8

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Specification

Synonyms
Adamantane-1,3,5,7-tetracarboxylic acid; H4ATC; adamantanetetracarboxylate; Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylic acid
IUPAC Name
adamantane-1,3,5,7-tetracarboxylic acid
Canonical SMILES
C1C2(CC3(CC1(CC(C2)(C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChI Key
VWAIZPYLEYEEFK-UHFFFAOYSA-N
Appearance
White solid
Complexity
460
CompoundIs Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
312.08451746g/mol
Formal Charge
0
H-Bond Acceptor
8
H-Bond Donor
4
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
312.08451746g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
149Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.9
June 16, 2023


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