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Chemical ID: 6683743
Chemical ID:
6683743
Name [?]:
3-(2-hydroxyphenyl)prop-2-enoic acid
SMILES [?]:
c1ccc(c(c1)C=CC(=O)O)O
InChi [?]:
InChI=1/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,5,4,9,12,10,11/E:(11,12)/rA:12nCCCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.36594 |
Area: | 314.667 |
Solvation: | -2.50074 |
Coulombic: | -43.9757 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.158 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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