Chemical ID: 6681946

c1ccc(cc1)C(CC(=O)O)CC(=O)O
Chemical ID:
6681946
Name [?]:
3-phenylpentanedioic acid
SMILES [?]:
c1ccc(cc1)C(CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,4,7,9,13,10,11,14,15/E:(2,3)(4,5)(6,7)(10,11)(12,13,14,15)/gE:(1,2)/rA:15nCCCCCCCCCOOCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s7;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.41481
Area:380.499
Solvation:-3.09767
Coulombic:-52.1345
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.211
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.03
LogP (Chemaxon):1.57

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Descriptor Annotations

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