Chemical ID: 7462893

CC(C)(C(c1ccc2c(c1)OCO2)O)C(=O)O
Chemical ID:
7462893
Name [?]:
3-benzo[1,3]dioxol-5-yl-3-hydroxy-2,2-dimethyl-propanoic acid
SMILES [?]:
CC(C)(C(c1ccc2c(c1)OCO2)O)C(=O)O
InChi [?]:
InChI=1/C12H14O5/c1-12(2,11(14)15)10(13)7-3-4-8-9(5-7)17-6-16-8/h3-5,10,13H,6H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,10,12,5,8,9,4,15,2,14,16,17,13,11/E:(1,2)(14,15)/rA:17cCCCCCCCCCCOCOOCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s8s12;s4;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O5
All Atoms:31
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:5.1108
Area:392.413
Solvation:-4.69952
Coulombic:-59.1854
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.11
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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