Chemical ID: 4963964

C=CCOC(=O)c1ccccc1C(=O)OCC2CO2
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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Descriptor Annotations

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