Chemical ID: 5578807

C1CCC(C(C1)CC(=O)O)CC(=O)O
Chemical ID:
5578807
Name [?]:
2-[2-(carboxymethyl)cyclohexyl]acetic acid
SMILES [?]:
C1CCC(C(C1)CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C10H16O4/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,11,5,4,8,12,9,10,13,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)/gE:(1,2)/rA:14cCCCCCCCCOOCCOO/rB:s1;s2;s3;s4;s1s5;s5;s7;d8;s8;s4;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:6.25402
Area:366.335
Solvation:-2.90435
Coulombic:-51.5098
Bond Count [?]
All:14
Single:12
Double:2
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.232
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):1.37

Name Annotations

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Descriptor Annotations

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