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Chemical ID: 5235836
Chemical ID:
5235836
Name [?]:
3-pent-4-enyl-3-phenyl-benzofuran-2-one
SMILES [?]:
C=CCCCC1(c2ccccc2OC1=O)c3ccccc3
InChi [?]:
InChI=1/C19H18O2/c1-2-3-9-14-19(15-10-5-4-6-11-15)16-12-7-8-13-17(16)21-18(19)20/h2,4-8,10-13H,1,3,9,14H2
InChi Info:
AuxInfo=1/0/N:1,2,3,19,18,20,9,10,4,17,21,8,11,5,16,7,12,14,6,15,13/E:(5,6)(10,11)/rA:21cCCCCCCCCCCCCOCOCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;d14;s6;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.93271 |
Area: | 481.874 |
Solvation: | -2.11413 |
Coulombic: | -23.9883 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.345 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.6 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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