Chemical ID: 6427372

CC1CC(CC(C1)C(=O)O)C(=O)O
Chemical ID:
6427372
Name [?]:
5-methylcyclohexane-1,3-dicarboxylic acid
SMILES [?]:
CC1CC(CC(C1)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C9H14O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h5-7H,2-4H2,1H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,7,5,2,4,6,11,8,12,13,9,10/E:(2,3)(6,7)(8,9)(10,11,12,13)/gE:(1,2)/rA:13cCCCCCCCCOOCOO/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s4;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:6.03801
Area:349.281
Solvation:-2.694
Coulombic:-52.1249
Bond Count [?]
All:13
Single:11
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:186.205
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.97
LogP (Chemaxon):1.37

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Descriptor Annotations

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