Chemical ID: 6638263

CCOC(=O)C(=CC)C
Chemical ID:
6638263
Name [?]:
ethyl 2-methylbut-2-enoate
SMILES [?]:
CCOC(=O)C(=CC)C
InChi [?]:
InChI=1/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:8,1,9,7,2,6,4,5,3/rA:9nCCOCOCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.30764
Area:299.472
Solvation:-1.17916
Coulombic:-20.4984
Bond Count [?]
All:8
Single:6
Double:2
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:128.169
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.62
LogP (Chemaxon):1.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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