Cyclobutane-1,1-Dicarboxylic Acid

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclobutane-1,1-dicarboxylic acid

2.1.2 InChI

InChI=1S/2C6H8O4/c2*7-4(8)6(5(9)10)2-1-3-6/h2*1-3H2,(H,7,8)(H,9,10)

2.1.3 InChI Key

IBEQQWPKTQWFRJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(C1)(C(=O)O)C(=O)O.C1CC(C1)(C(=O)O)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl8907359

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆O₈
Molecular Weight	288.25 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	288.08451746 g/mol
Monoisotopic Mass	288.08451746 g/mol
Topological Polar Surface Area	149 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	164
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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