Chemical ID: 6427374

CC(c1ccc(cc1)C(C)(C)C)C(=O)O
Chemical ID:
6427374
Name [?]:
2-(4-tert-butylphenyl)propanoic acid
SMILES [?]:
CC(c1ccc(cc1)C(C)(C)C)C(=O)O
InChi [?]:
InChI=1/C13H18O2/c1-9(12(14)15)10-5-7-11(8-6-10)13(2,3)4/h5-9H,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,11,12,4,8,5,7,2,3,6,13,9,14,15/E:(2,3,4)(5,6)(7,8)(14,15)/rA:15cCCCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s9;s9;s2;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.00878
Area:392.13
Solvation:-1.79447
Coulombic:-28.5849
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.281
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.48
LogP (Chemaxon):3.87

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Descriptor Annotations

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