Chemical ID: 4698677

COc1cnc(o1)C(=O)OC
Chemical ID:
4698677
Name [?]:
methyl 5-methoxyoxazole-2-carboxylate
SMILES [?]:
COc1cnc(o1)C(=O)OC
InChi [?]:
InChI=1/C6H7NO4/c1-9-4-3-7-5(11-4)6(8)10-2/h3H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,4,3,6,8,5,9,2,10,7/rA:11nCOCCNCOCOOC/rB:s1;s2;d3;s4;d5;s3s6;s6;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7NO4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.51003
Area:317.779
Solvation:-2.43444
Coulombic:-44.809
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:157.124
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.21
LogP (Chemaxon):-0.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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