Chemical ID: 4948580

CC1CCC(=CC1)C(=O)O
Chemical ID:
4948580
Name [?]:
4-methylcyclohexene-1-carboxylic acid
SMILES [?]:
CC1CCC(=CC1)C(=O)O
InChi [?]:
InChI=1/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h4,6H,2-3,5H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,7,3,6,4,2,5,8,9,10/E:(9,10)/rA:10cCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s2s6;s5;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:6.23587
Area:297.388
Solvation:-1.19884
Coulombic:-28.6009
Bond Count [?]
All:10
Single:8
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:140.18
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.98
LogP (Chemaxon):1.83

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Experimental Annotations

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Descriptor Annotations

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