Chemical ID: 4928204

CCOC(=O)C1C=C1C(C)(C)O
Chemical ID:
4928204
Name [?]:
ethyl 2-(1-hydroxy-1-methyl-ethyl)cycloprop-2-ene-1-carboxylate
SMILES [?]:
CCOC(=O)C1C=C1C(C)(C)O
InChi [?]:
InChI=1/C9H14O3/c1-4-12-8(10)6-5-7(6)9(2,3)11/h5-6,11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,11,2,7,6,8,4,9,5,12,3/E:(2,3)/rA:12cCCOCOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s6d7;s8;s9;s9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.23377
Area:356.578
Solvation:-2.68068
Coulombic:-35.6179
Bond Count [?]
All:12
Single:10
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:170.206
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.28
LogP (Chemaxon):0.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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