Chemical ID: 5207651

CC(C)(CC(=O)O)c1ccc(cc1)OC
Chemical ID:
5207651
Name [?]:
3-(4-methoxyphenyl)-3-methyl-butanoic acid
SMILES [?]:
CC(C)(CC(=O)O)c1ccc(cc1)OC
InChi [?]:
InChI=1/C12H16O3/c1-12(2,8-11(13)14)9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,9,13,10,12,4,8,11,5,2,6,7,14/E:(1,2)(4,5)(6,7)(13,14)/rA:15nCCCCCOOCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s2;s8;d9;s10;d11;d8s12;s11;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.4954
Area:382.833
Solvation:-3.07544
Coulombic:-34.2442
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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