Chemical ID: 5171762

COc1cccc(c1)C(C(=O)OC)O
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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