Chemical ID: 5208318

CCOC(=O)C=C(C)CO
Chemical ID:
5208318
Name [?]:
ethyl 4-hydroxy-3-methyl-but-2-enoate
SMILES [?]:
CCOC(=O)C=C(C)CO
InChi [?]:
InChI=1/C7H12O3/c1-3-10-7(9)4-6(2)5-8/h4,8H,3,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,6,9,7,4,10,5,3/rA:10nCCOCOCCCCO/rB:s1;s2;s3;d4;s4;w6;s7;s7;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.71484
Area:319.969
Solvation:-2.28439
Coulombic:-36.2405
Bond Count [?]
All:9
Single:7
Double:2
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:144.168
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.08
LogP (Chemaxon):0.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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