CAS
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5,7-Dimethyladamantane-1,3-dicarboxylic acid
Catalog Number
ACMA00000538
Category
Alkanes
Molecular Weight
252.31
Molecular Formula
C12H22O
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Specification
Hazard Statements
H226
RIDADR
NONH for all modes of transport
Symbol
GHS02
What is the molecular formula of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The molecular formula is C14H20O4.
What is the molecular weight of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The molecular weight is 252.31 g/mol.
What is the IUPAC name of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The IUPAC name is 5,7-dimethyladamantane-1,3-dicarboxylic acid.
What is the InChI of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The InChI is InChI=1S/C14H20O4/c1-11-3-12(2)6-13(4-11,9(15)16)8-14(5-11,7-12)10(17)18/h3-8H2,1-2H3,(H,15,16)(H,17,18).
What is the InChIKey of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The InChIKey is KGFHKUZOSKDAKW-UHFFFAOYSA-N.
What is the canonical SMILES of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The canonical SMILES is CC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)C(=O)O).
What is the CAS number of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The CAS number is 13928-68-2.
What is the XLogP3-AA value of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The XLogP3-AA value is 1.9.
How many hydrogen bond donor counts does 5,7-Dimethyladamantane-1,3-dicarboxylic acid have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 5,7-Dimethyladamantane-1,3-dicarboxylic acid?
The topological polar surface area is 74.6 Ų.
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