Chemical ID: 5835860

Cc1ccc(cc1)C=CC(=O)O
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

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Descriptor Annotations

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