Chemical ID: 4964604

CCC(=CC(=O)O)C(=O)O
Chemical ID:
4964604
Name [?]:
3-ethylbut-2-enedioic acid
SMILES [?]:
CCC(=CC(=O)O)C(=O)O
InChi [?]:
InChI=1/C6H8O4/c1-2-4(6(9)10)3-5(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,4,3,5,8,6,7,9,10/E:(7,8)(9,10)/rA:10nCCCCCOOCOO/rB:s1;s2;w3;s4;d5;s5;s3;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8O4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.21547
Area:295.897
Solvation:-2.18195
Coulombic:-53.4753
Bond Count [?]
All:9
Single:6
Double:3
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:144.125
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.19
LogP (Chemaxon):0.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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