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Home Carboxys cyclobutane-1,2-dicarboxylic acid

cyclobutane-1,2-dicarboxylic acid

CAS No.:
3396-14-3
Catalog Number:
AG00CKUH
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
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Product Description
Catalog Number:
AG00CKUH
Chemical Name:
cyclobutane-1,2-dicarboxylic acid
CAS Number:
3396-14-3
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
MDL Number:
MFCD13196659
IUPAC Name:
cyclobutane-1,2-dicarboxylic acid
InChI:
InChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChI Key:
SUSAGCZZQKACKE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC1C(=O)O
EC Number:
222-249-6
NSC Number:
527264
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Unusual electron charge density in carboxylic acid. 17O quadrupole coupling in cis-cyclobutane-1,2-dicarboxylic acid. The journal of physical chemistry. A 20120705
Revalidation and rationale for high pKa values of unconjugated bilirubin. BMC biochemistry 20070101
Properties