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Chemical ID: 4743883
Chemical ID:
4743883
Name [?]:
cyclopentane-1,2-dicarboxylic acid
SMILES [?]:
C1CC(C(C1)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,4,9,6,10,11,7,8/E:(2,3)(4,5)(6,7)(8,9,10,11)/gE:(1,2)/rA:11cCCCCCCOOCOO/rB:s1;s2;s3;s1s4;s4;d6;s6;s3;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10O4 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.37485 |
Area: | 295.644 |
Solvation: | -3.01625 |
Coulombic: | -50.7708 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 158.152 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.11 |
LogP (Chemaxon): | 0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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