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Chemical ID: 4097427
Chemical ID:
4097427
Name [?]:
ethyl 3-hydroxy-3-phenyl-propanoate
SMILES [?]:
CCOC(=O)CC(c1ccccc1)O
InChi [?]:
InChI=1/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,13,6,8,7,4,14,5,3/E:(4,5)(6,7)/rA:14cCCOCOCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.28995 |
Area: | 386.136 |
Solvation: | -3.36346 |
Coulombic: | -35.3871 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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