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Chemical ID: 4088398
Chemical ID:
4088398
Name [?]:
cyclobutane-1,1-dicarboxylic acid
SMILES [?]:
C1CC(C1)(C(=O)O)C(=O)O
InChi [?]:
InChI=1/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,8,3,6,7,9,10/E:(2,3)(4,5)(7,8,9,10)/gE:(1,2)/rA:10nCCCCCOOCOO/rB:s1;s2;s1s3;s3;d5;s5;s3;d8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8O4 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.80486 |
Area: | 283.827 |
Solvation: | -2.29082 |
Coulombic: | -52.334 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 144.125 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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