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Chemical ID: 6529614
Chemical ID:
6529614
Name [?]:
ethyl 3-phenylprop-2-enoate
SMILES [?]:
CCOC(=O)C=Cc1ccccc1
InChi [?]:
InChI=1/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,13,7,6,8,4,5,3/E:(4,5)(6,7)/rA:13nCCOCOCCCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98786 |
Area: | 350.846 |
Solvation: | -1.78329 |
Coulombic: | -21.1369 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 176.212 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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