Chemical ID: 6917754

c1ccc(c(c1)C=CC(=O)C(=O)O)O
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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