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Chemical ID: 6684481
Chemical ID:
6684481
Name [?]:
6-phenylhexanoic acid
SMILES [?]:
c1ccc(cc1)CCCCCC(=O)O
InChi [?]:
InChI=1/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,2,6,8,10,3,5,7,11,4,12,13,14/E:(3,4)(7,8)(13,14)/rA:14nCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19136 |
Area: | 403.747 |
Solvation: | -1.90233 |
Coulombic: | -28.1717 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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