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Chemical ID: 5171762
Chemical ID:
5171762
Name [?]:
methyl 2-hydroxy-2-(3-methoxyphenyl)-acetate
SMILES [?]:
COc1cccc(c1)C(C(=O)OC)O
InChi [?]:
InChI=1/C10H12O4/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2/h3-6,9,11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,5,6,4,8,7,3,9,10,14,11,2,12/rA:14cCOCCCCCCCCOOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.4044 |
Area: | 370.691 |
Solvation: | -3.86288 |
Coulombic: | -44.3848 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 196.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.69 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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