Chemical ID: 4574228

COc1ccc(cc1)C2C(O2)C(=O)[O-]
Chemical ID:
4574228
Name [?]:
3-(4-methoxyphenyl)oxirane-2-carboxylate
SMILES [?]:
COc1ccc(cc1)C2C(O2)C(=O)[O-]
InChi [?]:
InChI=1/C10H10O4/c1-13-7-4-2-6(3-5-7)8-9(14-8)10(11)12/h2-5,8-9H,1H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,6,3,9,10,12,13,14,2,11/E:(2,3)(4,5)(11,12)/rA:14cCOCCCCCCCCOCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s9s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9O4-
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:-33.9926
Area:369.313
Solvation:-43.2254
Coulombic:-20.6837
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:193.176
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.54
LogP (Chemaxon):1.17

Name Annotations

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Descriptor Annotations

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