Chemical ID: 3964467

COC(=O)C1CCOCC1
Chemical ID:
3964467
Name [?]:
methyl tetrahydropyran-4-carboxylate
SMILES [?]:
COC(=O)C1CCOCC1
InChi [?]:
InChI=1/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,10,7,9,5,3,4,2,8/E:(2,3)(4,5)/rA:10nCOCOCCCOCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.3878
Area:298.859
Solvation:-3.08368
Coulombic:-25.2548
Bond Count [?]
All:10
Single:9
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:144.168
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.26
LogP (Chemaxon):0.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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