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Chemical ID: 4963964
Chemical ID:
4963964
Name [?]:
allyl oxiran-2-ylmethyl benzene-1,2-dicarboxylate
SMILES [?]:
C=CCOC(=O)c1ccccc1C(=O)OCC2CO2
InChi [?]:
InChI=1/C14H14O5/c1-2-7-17-13(15)11-5-3-4-6-12(11)14(16)19-9-10-8-18-10/h2-6,10H,1,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,3,18,16,17,7,12,5,13,6,14,4,19,15/rA:19cCCCOCOCCCCCCCOOCCCO/rB:d1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;s16;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.35676 |
Area: | 475.41 |
Solvation: | -4.52849 |
Coulombic: | -48.9617 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 262.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.15 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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