Chemical ID: 6661157

CCC(C)(CC(=O)O)c1ccccc1
Chemical ID:
6661157
Name [?]:
3-methyl-3-phenyl-pentanoic acid
SMILES [?]:
CCC(C)(CC(=O)O)c1ccccc1
InChi [?]:
InChI=1/C12H16O2/c1-3-12(2,9-11(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,2,12,11,13,10,14,5,9,6,3,7,8/E:(5,6)(7,8)(13,14)/rA:14cCCCCCCOOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s3;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.38387
Area:360.637
Solvation:-1.63206
Coulombic:-28.4486
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.1
LogP (Chemaxon):3.23

Name Annotations

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Descriptor Annotations

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