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Chemical ID: 6917754
Chemical ID:
6917754
Name [?]:
4-(2-hydroxyphenyl)-2-oxo-but-3-enoic acid
SMILES [?]:
c1ccc(c(c1)C=CC(=O)C(=O)O)O
InChi [?]:
InChI=1/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,5,4,9,11,14,10,12,13/E:(13,14)/rA:14nCCCCCCCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;d11;s11;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8O4 |
All Atoms: | 22 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.04775 |
Area: | 373.419 |
Solvation: | -3.28771 |
Coulombic: | -54.5553 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.168 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.12 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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