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Chemical ID: 5206279
Chemical ID:
5206279
Name [?]:
2,3,3-trimethylcyclopentene-1-carboxylic acid
SMILES [?]:
CC1=C(CCC1(C)C)C(=O)O
InChi [?]:
InChI=1/C9H14O2/c1-6-7(8(10)11)4-5-9(6,2)3/h4-5H2,1-3H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,7,8,4,5,2,3,9,6,10,11/E:(2,3)(10,11)/rA:11nCCCCCCCCCOO/rB:s1;d2;s3;s4;s2s5;s6;s6;s3;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.56027 |
Area: | 311.985 |
Solvation: | -1.23935 |
Coulombic: | -28.2959 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 154.206 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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