Chemical ID: 5206279

CC1=C(CCC1(C)C)C(=O)O
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

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Experimental Annotations

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Descriptor Annotations

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