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Chemical ID: 5835860
Chemical ID:
5835860
Name [?]:
3-(p-tolyl)prop-2-enoic acid
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)O
InChi [?]:
InChI=1/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,9,2,5,10,11,12/E:(2,3)(4,5)(11,12)/rA:12nCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.25067 |
Area: | 325.103 |
Solvation: | -1.87692 |
Coulombic: | -28.1197 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 162.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.35 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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