Chemical ID: 6688673

COC(=O)CC=CC(=O)OC
Chemical ID:
6688673
Name [?]:
dimethyl pent-2-enedioate
SMILES [?]:
COC(=O)CC=CC(=O)OC
InChi [?]:
InChI=1/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:11,1,6,7,5,8,3,9,4,10,2/rA:11nCOCOCCCCOOC/rB:s1;s2;d3;s3;s5;w6;s7;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10O4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.76754
Area:335.43
Solvation:-2.61821
Coulombic:-37.1922
Bond Count [?]
All:10
Single:7
Double:3
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:158.152
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.37
LogP (Chemaxon):0.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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