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Chemical ID: 4256638
Chemical ID:
4256638
Name [?]:
2-hydroxy-3,3-dimethyl-norbornane-1-carboxylic acid
SMILES [?]:
CC1(C2CCC(C2)(C1O)C(=O)O)C
InChi [?]:
InChI=1/C10H16O3/c1-9(2)6-3-4-10(5-6,7(9)11)8(12)13/h6-7,11H,3-5H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,4,5,7,3,8,10,2,6,9,11,12/E:(1,2)(12,13)/rA:13cCCCCCCCCOCOOC/rB:s1;s2;s3;s4;s5;s3s6;s2s6;s8;s6;d10;s10;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.14777 |
Area: | 328.151 |
Solvation: | -2.056 |
Coulombic: | -44.3532 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 184.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.52 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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