Chemical ID: 5207529

CC(C)(CC(=O)O)c1cccc(c1)OC
Chemical ID:
5207529
Name [?]:
3-(3-methoxyphenyl)-3-methyl-butanoic acid
SMILES [?]:
CC(C)(CC(=O)O)c1cccc(c1)OC
InChi [?]:
InChI=1/C12H16O3/c1-12(2,8-11(13)14)9-5-4-6-10(7-9)15-3/h4-7H,8H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,10,9,11,13,4,8,12,5,2,6,7,14/E:(1,2)(13,14)/rA:15nCCCCCOOCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s2;s8;d9;s10;d11;d8s12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.48552
Area:383.016
Solvation:-3.08987
Coulombic:-34.2464
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.254
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):2.58

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Descriptor Annotations

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