Chemical ID: 6143397

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C(=O)O
Chemical ID:
6143397
Name [?]:
adamantane-1,3-dicarboxylic acid
SMILES [?]:
C1C2CC3(CC1CC(C2)(C3)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,9,5,7,10,2,6,14,11,4,8,15,16,12,13/E:(2,3,4,5)(7,8)(9,10)(11,12)(13,14,15,16)/gE:(1,2)/rA:16nCCCCCCCCCCCOOCOO/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s8;d11;s11;s4;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.4619
Area:358.202
Solvation:-2.49315
Coulombic:-53.1869
Bond Count [?]
All:18
Single:16
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:224.253
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.2
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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